diff --git a/QM9_tddft/raw/00002.pt b/QM9_tddft/raw/00002.pt new file mode 100644 index 0000000000000000000000000000000000000000..771a80f860fea4dc41e01c1a9484a335b9ac95b9 --- /dev/null +++ b/QM9_tddft/raw/00002.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d5ac74b2bfaf6f29de7a6224d2fbe558b16ef6cd32dff5aa50e1a59042c2547 +size 4095250 diff --git a/QM9_tddft/raw/00011.pt b/QM9_tddft/raw/00011.pt new file mode 100644 index 0000000000000000000000000000000000000000..13504a9f87ba05e696696be2c78fef614760b21c --- /dev/null +++ b/QM9_tddft/raw/00011.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbae18e1f8d8831d994e41080b25d96d71bd01130c91e144e44dad9bb72e3fec +size 4843218 diff --git a/QM9_tddft/raw/00035.pt b/QM9_tddft/raw/00035.pt new file mode 100644 index 0000000000000000000000000000000000000000..aeecd1bc597ccb10a802785322d1bb1437d5fed0 --- /dev/null +++ b/QM9_tddft/raw/00035.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4894062a2339fda7b11a4c9f8fd4fcbd020653c1cc4e9218713d7cc425b1160f +size 4212498 diff --git a/QM9_tddft/raw/00036.pt b/QM9_tddft/raw/00036.pt new file mode 100644 index 0000000000000000000000000000000000000000..02fef511b7b847cebd4d1b57f04ce9c92ad603dc --- /dev/null +++ b/QM9_tddft/raw/00036.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21507750aa31ecf0e73372dc5c9eaf6723b84c157afbbcfb70793faf3a92b3c4 +size 4490130 diff --git a/QM9_tddft/raw/00037.pt b/QM9_tddft/raw/00037.pt new file mode 100644 index 0000000000000000000000000000000000000000..62c4e5c74854522852e6d33cb3d6927a38fb3a67 --- /dev/null +++ b/QM9_tddft/raw/00037.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:50566d9cb7fae2767305a85709dfb87ba875cb72f6a864c4b762f46c97396c27 +size 4490130 diff --git a/QM9_tddft/raw/00038.pt b/QM9_tddft/raw/00038.pt new file mode 100644 index 0000000000000000000000000000000000000000..acdc67583f6c883c02af5139c003b2a5fbd634a8 --- /dev/null +++ b/QM9_tddft/raw/00038.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8bf158e219d8a4829fc0ae0a13c589f7cc5dccf4f440db192f851d59df69a947 +size 4490130 diff --git a/QM9_tddft/raw/00047.pt b/QM9_tddft/raw/00047.pt new file mode 100644 index 0000000000000000000000000000000000000000..dab7cc336ea15dc1724dadf6108cf873022a1976 --- /dev/null +++ b/QM9_tddft/raw/00047.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:348848f8823fcaf7c8936382da905f8c41cdfad066dd39db9a5f5394bc91b4e4 +size 4490130 diff --git a/QM9_tddft/raw/00053.pt b/QM9_tddft/raw/00053.pt new file mode 100644 index 0000000000000000000000000000000000000000..7acf2076b140f689f449251e33131a522efc1df5 --- /dev/null +++ b/QM9_tddft/raw/00053.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96abdae7804d5e2c376d7a30e127ab6ae2e775756cb48376299bc8d167d789c8 +size 4329682 diff --git a/QM9_tddft/raw/00055.pt b/QM9_tddft/raw/00055.pt new file mode 100644 index 0000000000000000000000000000000000000000..a65ae6c72370b7ca607b0289881d592702ec29e5 --- /dev/null +++ b/QM9_tddft/raw/00055.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c77a0c6816dc82759e27e2e51a8eba40baf899b4674a9bb2b97d77c8fd0bc8d4 +size 4878738 diff --git a/QM9_tddft/raw/00057.pt b/QM9_tddft/raw/00057.pt new file mode 100644 index 0000000000000000000000000000000000000000..3a98d645d1b53f61eb6299f467309a66cff0cf3a --- /dev/null +++ b/QM9_tddft/raw/00057.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb743be355691def84d764d442121d34a2c8945e450453607237c8ba24095112 +size 4906898 diff --git a/QM9_tddft/raw/00065.pt b/QM9_tddft/raw/00065.pt new file mode 100644 index 0000000000000000000000000000000000000000..a3ba4a24e89ea58414a53b7fe2bd45c7a4b58411 --- /dev/null +++ b/QM9_tddft/raw/00065.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cebdbe6c616a6f5b3121c2ac5a6905b5c8a685a1cb051e492ee5039e4e09c60 +size 5587346 diff --git a/QM9_tddft/raw/00069.pt b/QM9_tddft/raw/00069.pt new file mode 100644 index 0000000000000000000000000000000000000000..9849f6c675e5c5d93b4fae14970b39012ed9fdec --- /dev/null +++ b/QM9_tddft/raw/00069.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c162f84c4c58c785c877b71fd4aa1df7fe6480ff63bf38d1c0435c355da698a +size 6109970 diff --git a/QM9_tddft/raw/00070.pt b/QM9_tddft/raw/00070.pt new file mode 100644 index 0000000000000000000000000000000000000000..2dd65d7e239c9a77a4a067d3f31f77072c98338b --- /dev/null +++ b/QM9_tddft/raw/00070.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ecaf7dbaeceae18661ca876bd0aa10960f06e0b6ee1157f3b31dfcaac56fc470 +size 3943698 diff --git a/QM9_tddft/raw/00077.pt b/QM9_tddft/raw/00077.pt new file mode 100644 index 0000000000000000000000000000000000000000..8c6394e8bf0444e7cc033de396b4d31e20bf91c9 --- /dev/null +++ b/QM9_tddft/raw/00077.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4394e3382b2df70c065006c89d6700e3c4d66280f58ebdd21891d51b5e5f656d +size 5277586 diff --git a/QM9_tddft/raw/00090.pt b/QM9_tddft/raw/00090.pt new file mode 100644 index 0000000000000000000000000000000000000000..9f1cb904f7a11f3dd8d31a72742170f05604bcb6 --- /dev/null +++ b/QM9_tddft/raw/00090.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93e68539dcf8bf9842590fd9528c2ab7912fd9b3d733f876c53af84cfc365fd7 +size 2631762 diff --git a/QM9_tddft/raw/00091.pt b/QM9_tddft/raw/00091.pt new file mode 100644 index 0000000000000000000000000000000000000000..a104a2c5314d6059102e03de86d6668670c3941e --- /dev/null +++ b/QM9_tddft/raw/00091.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d67dad79e47aa2ebc56f35e6a5c0f74c15aa9c3296e86517ba7a39a62bb70441 +size 4329682 diff --git a/QM9_tddft/raw/00094.pt b/QM9_tddft/raw/00094.pt new file mode 100644 index 0000000000000000000000000000000000000000..66dce77148502345fa6d93a1dae47a0def93220a --- /dev/null +++ b/QM9_tddft/raw/00094.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:614be2e63ddaad2d2155b3f5663186c681b89d068bf70251d420b4887e9168d5 +size 4976530 diff --git a/QM9_tddft/raw/00095.pt b/QM9_tddft/raw/00095.pt new file mode 100644 index 0000000000000000000000000000000000000000..e34ab8f23649c7dc6fa478dca4d8ab9b168053ee --- /dev/null +++ b/QM9_tddft/raw/00095.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2757387f2d570c171f7870b1cb5c9863e0b7a4b890e19df6bf0d5c38fecfe3d +size 3404562 diff --git a/QM9_tddft/raw/00103.pt b/QM9_tddft/raw/00103.pt new file mode 100644 index 0000000000000000000000000000000000000000..ad238cadfefd82ae826b8613a0c3bec7bdc25eb4 --- /dev/null +++ b/QM9_tddft/raw/00103.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31828568924bcfe18c2abecc35fcadb9b878d095d83486c99d149a275a6b766e +size 6263570 diff --git a/QM9_tddft/raw/00108.pt b/QM9_tddft/raw/00108.pt new file mode 100644 index 0000000000000000000000000000000000000000..981b15c152faed9712f7357f9cd2dd22746c85d1 --- /dev/null +++ b/QM9_tddft/raw/00108.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:08f2f721e535a9d444b9262a9abb74f214320689760c7636b5b242a8d6eccc33 +size 5277586 diff --git a/QM9_tddft/raw/00109.pt b/QM9_tddft/raw/00109.pt new file mode 100644 index 0000000000000000000000000000000000000000..abac5cf120d91bcfd84b3a45745fab2daf23a214 --- /dev/null +++ b/QM9_tddft/raw/00109.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:446cc85b604251682a326aae85e78a1ef22440d4786e298e059753c37dbb4751 +size 3889618 diff --git a/QM9_tddft/raw/00110.pt b/QM9_tddft/raw/00110.pt new file mode 100644 index 0000000000000000000000000000000000000000..119332fc6105d79c44627ac2dac098b0a9f7510f --- /dev/null +++ b/QM9_tddft/raw/00110.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39a1e2b19106c09bfe29005da31a8644c40b229649154c7ef365abe1cacca154 +size 5414930 diff --git a/QM9_tddft/raw/00112.pt b/QM9_tddft/raw/00112.pt new file mode 100644 index 0000000000000000000000000000000000000000..f2abee81ba1bee480393dc17d1b48359fc7e1caf --- /dev/null +++ b/QM9_tddft/raw/00112.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6788f9dded581ad2bcf30e901305f331184810af9323efb5098c7624f7b79d75 +size 5956498 diff --git a/QM9_tddft/raw/00119.pt b/QM9_tddft/raw/00119.pt new file mode 100644 index 0000000000000000000000000000000000000000..419adbabbd419c28c3ba6100637664f878f1d81e --- /dev/null +++ b/QM9_tddft/raw/00119.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9737560359b810d14aebcc1f691f668cb3618f082ce29662337e293c161d4c5 +size 4170066 diff --git a/QM9_tddft/raw/00127.pt b/QM9_tddft/raw/00127.pt new file mode 100644 index 0000000000000000000000000000000000000000..2d194c0bc9ba39edaf3ffa382bc1f2b9605b81b7 --- /dev/null +++ b/QM9_tddft/raw/00127.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60373781748dcaeef94a678f332795ef2d7c6baa63a49c6eb208888708a6fe86 +size 5760850 diff --git a/QM9_tddft/raw/00136.pt b/QM9_tddft/raw/00136.pt new file mode 100644 index 0000000000000000000000000000000000000000..88fa2f2ad01e6f5dae08cc4ef12af127fb287446 --- /dev/null +++ b/QM9_tddft/raw/00136.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5bf9ce82961273f44be54cea834beb0ca2975617fb9fd62e026e32756cc16deb +size 5906386 diff --git a/QM9_tddft/raw/00140.pt b/QM9_tddft/raw/00140.pt new file mode 100644 index 0000000000000000000000000000000000000000..36cb775133f4a454510187947332a4d7a9df1311 --- /dev/null +++ b/QM9_tddft/raw/00140.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a5a923545a24781c8fccf01172ebe3db70568940701baf59ff081878f155af93 +size 4526098 diff --git a/QM9_tddft/raw/00143.pt b/QM9_tddft/raw/00143.pt new file mode 100644 index 0000000000000000000000000000000000000000..08478dcc08b68da42c650b966796d85fbd947040 --- /dev/null +++ b/QM9_tddft/raw/00143.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6e41e6d5fee8ceaa63b7f87d7eae38fc8d0f1465fbcc1ee5faac68137f3a736 +size 4942866 diff --git a/QM9_tddft/raw/00146.pt b/QM9_tddft/raw/00146.pt new file mode 100644 index 0000000000000000000000000000000000000000..c519f27b8884c52b6f3ac75e27b8f77652060e41 --- /dev/null +++ b/QM9_tddft/raw/00146.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2dc49ac33dfd6065ddc6bcb84304b6ff5687c19fc3e9609b30484f3c7daac68b +size 4813650 diff --git a/QM9_tddft/raw/00148.pt b/QM9_tddft/raw/00148.pt new file mode 100644 index 0000000000000000000000000000000000000000..cfecf957ae9daffb4e636c973032854fca5d5008 --- /dev/null +++ b/QM9_tddft/raw/00148.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:702bfd43eb803d46d8b7ffa61907f903aadfa60fb49aa4f547825cd217ce0033 +size 4368978 diff --git a/QM9_tddft/raw/00149.pt b/QM9_tddft/raw/00149.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2145ee0269751e609eac796cd0b446f1a91b4eb --- /dev/null +++ b/QM9_tddft/raw/00149.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6062bc411eb88cd0c0c223cc6e60d2bf2513cbd1113dbf92f5294a46c4223a64 +size 5587346 diff --git a/QM9_tddft/raw/00154.pt b/QM9_tddft/raw/00154.pt new file mode 100644 index 0000000000000000000000000000000000000000..0d8868be032f2677385905a17aab536b2987f671 --- /dev/null +++ b/QM9_tddft/raw/00154.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5125894340b4e1170b047b780b8eebe8e36777c8d21bd0c2ec64af0040e85c98 +size 5615442 diff --git a/QM9_tddft/raw/00158.pt b/QM9_tddft/raw/00158.pt new file mode 100644 index 0000000000000000000000000000000000000000..cc00de26bcff725bc3f43bab4047d680006661df --- /dev/null +++ b/QM9_tddft/raw/00158.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d99c052661806b9c88a4bb5e97f868c3bfba11bf07bb010f37da1e0586684c7 +size 5587346 diff --git a/QM9_tddft/raw/00167.pt b/QM9_tddft/raw/00167.pt new file mode 100644 index 0000000000000000000000000000000000000000..e7c65e935e3f2caa324d4c48653d69541fdb3c33 --- /dev/null +++ b/QM9_tddft/raw/00167.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e809a6119eaec26936cc8198edf1bdbf681b4ef22ef3e2caf332d4f3e7678073 +size 5445970 diff --git a/QM9_tddft/raw/00171.pt b/QM9_tddft/raw/00171.pt new file mode 100644 index 0000000000000000000000000000000000000000..37839b578858796fdee43a93600a930d1f9d7d4a --- /dev/null +++ b/QM9_tddft/raw/00171.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0dcccbe998a53ff996c29610c1a5d2afff9a616cf86bc825a6f31927fa0c26f +size 5587346 diff --git a/QM9_tddft/raw/00173.pt b/QM9_tddft/raw/00173.pt new file mode 100644 index 0000000000000000000000000000000000000000..399e67705f27abf49ec5f8409d4f80df585eb0de --- /dev/null +++ b/QM9_tddft/raw/00173.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:506710b6c3e1bd357d1c6291acef23b09d0c450d83d96c27ee664e524954a063 +size 5445970 diff --git a/QM9_tddft/raw/00175.pt b/QM9_tddft/raw/00175.pt new file mode 100644 index 0000000000000000000000000000000000000000..4342a08a246980b8f087c21a1a4d4662b9b7bba8 --- /dev/null +++ b/QM9_tddft/raw/00175.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc872507d46a1d786b9e1233c064979f02732cb174e5a4bf2dca1c473010f254 +size 4942866 diff --git a/QM9_tddft/raw/00176.pt b/QM9_tddft/raw/00176.pt new file mode 100644 index 0000000000000000000000000000000000000000..1165bad1a515b82b7144a6ccf22f11e1f22f6ac1 --- /dev/null +++ b/QM9_tddft/raw/00176.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0109a08504feef510158f595f9af44a9310ba38275f26a94c3a2ae5f336cc70 +size 5109778 diff --git a/QM9_tddft/raw/00178.pt b/QM9_tddft/raw/00178.pt new file mode 100644 index 0000000000000000000000000000000000000000..84fbbb2959c0c048599060cf480c2a3fd0e1193c --- /dev/null +++ b/QM9_tddft/raw/00178.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8dfa50569cdf3fc9ed4726753288a5a4d2808996d27dbfe0105df0f281537cb +size 4813650 diff --git a/QM9_tddft/raw/00185.pt b/QM9_tddft/raw/00185.pt new file mode 100644 index 0000000000000000000000000000000000000000..aa5a1486b8d742da788f58133387db4622f4233b --- /dev/null +++ b/QM9_tddft/raw/00185.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35a3dbd8f5ea23d75c2bb792ca3aa8bb713ef8c94fa0b58e976eaa60298b0380 +size 3801170 diff --git a/QM9_tddft/raw/00192.pt b/QM9_tddft/raw/00192.pt new file mode 100644 index 0000000000000000000000000000000000000000..c129b4066108e3d5e2eed8c626ba835638a62fd0 --- /dev/null +++ b/QM9_tddft/raw/00192.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:40962686bb1ef3ab40e2915e687b7d629f723c75eebc0c826c7d92349277d31d +size 5304594 diff --git a/QM9_tddft/raw/00193.pt b/QM9_tddft/raw/00193.pt new file mode 100644 index 0000000000000000000000000000000000000000..d7b4e1375a1b9ddc84e7ef44a72891ea111ac730 --- /dev/null +++ b/QM9_tddft/raw/00193.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:302c0bd67b51aa7cdd6fe703544901870a599771dd6bb05fae84a7dd06d1cc6e +size 5587346 diff --git a/QM9_tddft/raw/00195.pt b/QM9_tddft/raw/00195.pt new file mode 100644 index 0000000000000000000000000000000000000000..0cf8f67ba91480f14eb857f67f2b87fe91308187 --- /dev/null +++ b/QM9_tddft/raw/00195.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b99a3bc26abf270fc8818a89c054593ad4150a77df3d3f91b41ad6d6bdec2b2 +size 5109778 diff --git a/QM9_tddft/raw/00197.pt b/QM9_tddft/raw/00197.pt new file mode 100644 index 0000000000000000000000000000000000000000..7ce50c38e936fe497f815b5060addaace919cb80 --- /dev/null +++ b/QM9_tddft/raw/00197.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e17013cbadb6d08e7ba2ce9fc97e564d1acdad4bcacaa6f246a063b3fb24ef +size 5470034 diff --git a/QM9_tddft/raw/00203.pt b/QM9_tddft/raw/00203.pt new file mode 100644 index 0000000000000000000000000000000000000000..a2a7f8d655f703156e587053874fb43ee39c2181 --- /dev/null +++ b/QM9_tddft/raw/00203.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4f0419e0911eb8a718a510c6c153d0c37c913f774a4314dfd51d011975b7da3 +size 5140242 diff --git a/QM9_tddft/raw/00205.pt b/QM9_tddft/raw/00205.pt new file mode 100644 index 0000000000000000000000000000000000000000..1d66b2286932257e5a6a03b0853a81a23aa60c45 --- /dev/null +++ b/QM9_tddft/raw/00205.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9cac79f524a40d74f081214a0e26311b774ab636cc8fc11cfc7be900944d172 +size 5445970 diff --git a/QM9_tddft/raw/00214.pt b/QM9_tddft/raw/00214.pt new file mode 100644 index 0000000000000000000000000000000000000000..37bf9303204d05547c3b88885dcfa697992b0746 --- /dev/null +++ b/QM9_tddft/raw/00214.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:210d60afe18043871aa9ea464009654863865bd39622a66e14e2554d5f60b984 +size 4004178 diff --git a/QM9_tddft/raw/00216.pt b/QM9_tddft/raw/00216.pt new file mode 100644 index 0000000000000000000000000000000000000000..4faf9ffc67fadff5d452b9d48c158ccabedfb15d --- /dev/null +++ b/QM9_tddft/raw/00216.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c74822015683dc57036c34ce13af6fcc645dcaea441fe0633493d563f24114f +size 4976530 diff --git a/QM9_tddft/raw/00218.pt b/QM9_tddft/raw/00218.pt new file mode 100644 index 0000000000000000000000000000000000000000..718b5ad6d1a10cb553e3b16b8b8cec04a1af070f --- /dev/null +++ b/QM9_tddft/raw/00218.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3a6050e536ec9510393815ecfeabf17e961daf4b6ed80027274907876a555f90 +size 5109778 diff --git a/QM9_tddft/raw/00228.pt b/QM9_tddft/raw/00228.pt new file mode 100644 index 0000000000000000000000000000000000000000..eac03f8b9367c7a2959d8670dd3e6c2fc9e915a0 --- /dev/null +++ b/QM9_tddft/raw/00228.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aee46343c7c4ff751bb0a1fb56b47ab469d7b086af8ae482a78ce35d04bd8552 +size 6109970 diff --git a/QM9_tddft/raw/00234.pt b/QM9_tddft/raw/00234.pt new file mode 100644 index 0000000000000000000000000000000000000000..24535ff855e5afc3adbf814f6cdf6915d3f98546 --- /dev/null +++ b/QM9_tddft/raw/00234.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:49ea1e7c0b56a08a3caeda2a55d12fa9be47d30b19376aa67e3800c62805a301 +size 4156050 diff --git a/QM9_tddft/raw/00239.pt b/QM9_tddft/raw/00239.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2dc69b3059a8d4af0948a0b672059ce3968ee60 --- /dev/null +++ b/QM9_tddft/raw/00239.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b80da7b455e44012d850180bf1d73bb308f00e8818212ccf20f34ffd8389ac3 +size 4526098 diff --git a/QM9_tddft/raw/00253.pt b/QM9_tddft/raw/00253.pt new file mode 100644 index 0000000000000000000000000000000000000000..65b08cf274e387212d6ea12d2e281544cb17a6fe --- /dev/null +++ b/QM9_tddft/raw/00253.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b19a01d84820283a215b580678d5aacc5ce1526f5e41830348656b2225ae463 +size 4813650 diff --git a/QM9_tddft/raw/00258.pt b/QM9_tddft/raw/00258.pt new file mode 100644 index 0000000000000000000000000000000000000000..372f461e6f2eb1f28dae6a55b3db1151990475d3 --- /dev/null +++ b/QM9_tddft/raw/00258.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fab36aace754c1049ca070a464c09377606c0ac88edbb4d9808186fa6d99a736 +size 4526098 diff --git a/QM9_tddft/raw/00265.pt b/QM9_tddft/raw/00265.pt new file mode 100644 index 0000000000000000000000000000000000000000..f5a66f42f5079cbffe2a806fa7eb9d3fd61b9e4d --- /dev/null +++ b/QM9_tddft/raw/00265.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:843d76b489b393875f2dbf0bbd5e5156d882bf1439d3d72ecb4b72ada8473252 +size 5445970 diff --git a/QM9_tddft/raw/00271.pt b/QM9_tddft/raw/00271.pt new file mode 100644 index 0000000000000000000000000000000000000000..db5b1dd1dfacb6f2f2c682696ffdf24de8df6a2a --- /dev/null +++ b/QM9_tddft/raw/00271.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa7371933ea7eff253dec38355398387a2814eeed7848bf7f344a2c3fe3cdf73 +size 6109970 diff --git a/QM9_tddft/raw/00273.pt b/QM9_tddft/raw/00273.pt new file mode 100644 index 0000000000000000000000000000000000000000..773f180170efcf900839bfb2a9b40d32b4af8702 --- /dev/null +++ b/QM9_tddft/raw/00273.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a313fa0378d31e372254ebe53986c43aafdc22418dbf66d0ab0993617e21b59e +size 5002898 diff --git a/QM9_tddft/raw/00274.pt b/QM9_tddft/raw/00274.pt new file mode 100644 index 0000000000000000000000000000000000000000..e8efda583cb6e4bdba85761c29005b063b335c2e --- /dev/null +++ b/QM9_tddft/raw/00274.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f893efb832427173d1ff8c202d7da51119aa24869f6dd8fc6c512aba0a21f9bd +size 4651346 diff --git a/QM9_tddft/raw/00275.pt b/QM9_tddft/raw/00275.pt new file mode 100644 index 0000000000000000000000000000000000000000..4b296e0bc86a84d2af817122843b5a917896c05a --- /dev/null +++ b/QM9_tddft/raw/00275.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e9504e58de0605328c629121edf0084ca467b650a54dad5fdca967cd71b05bf +size 5615442 diff --git a/QM9_tddft/raw/00284.pt b/QM9_tddft/raw/00284.pt new file mode 100644 index 0000000000000000000000000000000000000000..8a186015292b3971f61fa949c9ced7bd2ccab1df --- /dev/null +++ b/QM9_tddft/raw/00284.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05d0883d9a5fb7e4866fc5d5e314824dc5237489b6401f3af99128a96fd7889f +size 5760850 diff --git a/QM9_tddft/raw/00286.pt b/QM9_tddft/raw/00286.pt new file mode 100644 index 0000000000000000000000000000000000000000..0faabc607451d489bcdad6d23b4c9042b523b7db --- /dev/null +++ b/QM9_tddft/raw/00286.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:336778479a4604d7692bc89c7ba175dab42aab5bd25ec3f05eed1e8867ed0d8e +size 5587346 diff --git a/QM9_tddft/raw/00288.pt b/QM9_tddft/raw/00288.pt new file mode 100644 index 0000000000000000000000000000000000000000..342bdc769164edbfa7fd867e9a01c0b39d338c0b --- /dev/null +++ b/QM9_tddft/raw/00288.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74f2663bfec36ffb132b1046f5b790495b614f3c38f93b60c69bd6f858ac9448 +size 4462482 diff --git a/QM9_tddft/raw/00293.pt b/QM9_tddft/raw/00293.pt new file mode 100644 index 0000000000000000000000000000000000000000..14bd783ae1a222138464c1d5c8e7f3162f480ffd --- /dev/null +++ b/QM9_tddft/raw/00293.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7731cb2518927717ca556ced40057906d7b14c3a149a28a095997fedd4724e8d +size 5934994 diff --git a/QM9_tddft/raw/00301.pt b/QM9_tddft/raw/00301.pt new file mode 100644 index 0000000000000000000000000000000000000000..061929efa7c8a3704aa71183040b3f120e4cb2fd --- /dev/null +++ b/QM9_tddft/raw/00301.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd2a658f60042777cb24c351d5373d468d2a2de4d89a20e6988bd1f7ec5f50fd +size 4776530 diff --git a/QM9_tddft/raw/00303.pt b/QM9_tddft/raw/00303.pt new file mode 100644 index 0000000000000000000000000000000000000000..5425cb7ce745d483a69fd05652f13c5d0c11e876 --- /dev/null +++ b/QM9_tddft/raw/00303.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebd8527d79af47ca764a4a3aecfd62d031015b7088dcddc47216e11073f210f6 +size 4684370 diff --git a/QM9_tddft/raw/00307.pt b/QM9_tddft/raw/00307.pt new file mode 100644 index 0000000000000000000000000000000000000000..525f5db0d53b0ebb4bcc0794d609a71ff3e5c937 --- /dev/null +++ b/QM9_tddft/raw/00307.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d2d82208e80374d6440ec367af73d2707f8868ef5d463f7c357e91a22166861 +size 5304594 diff --git a/QM9_tddft/raw/00308.pt b/QM9_tddft/raw/00308.pt new file mode 100644 index 0000000000000000000000000000000000000000..959b7a85ceb11323621871b29e0a1ee67fff6aaf --- /dev/null +++ b/QM9_tddft/raw/00308.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd1576738d37c186e2cd13857f4543f3e5caafbedb5dcf5a83ed5634f325ae34 +size 3489554 diff --git a/QM9_tddft/raw/00310.pt b/QM9_tddft/raw/00310.pt new file mode 100644 index 0000000000000000000000000000000000000000..3e805af9e47d08413cedd940b14838bd0571ddb9 --- /dev/null +++ b/QM9_tddft/raw/00310.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e3e7a1c01cad25fd11a3bdbc335a75b739823f37f7457e952ef0459eea6006b +size 4368978 diff --git a/QM9_tddft/raw/00317.pt b/QM9_tddft/raw/00317.pt new file mode 100644 index 0000000000000000000000000000000000000000..9a2ecb720e50aff8b250cb141c20fa97df2530a0 --- /dev/null +++ b/QM9_tddft/raw/00317.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:abe00dfbd53141230a2f79760a867eeed75898783be727b564365c429414e104 +size 4813650 diff --git a/QM9_tddft/raw/00321.pt b/QM9_tddft/raw/00321.pt new file mode 100644 index 0000000000000000000000000000000000000000..7303192e3fe5c3daf48cd9d2ca43ecc69007eb9f --- /dev/null +++ b/QM9_tddft/raw/00321.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:060e94bb9928aed2c754003e560d210460278af3fc7b6a01d322969bc41624ec +size 5934994 diff --git a/QM9_tddft/raw/00322.pt b/QM9_tddft/raw/00322.pt new file mode 100644 index 0000000000000000000000000000000000000000..5889dbc95b8b5738319aae192de61ceae53b2895 --- /dev/null +++ b/QM9_tddft/raw/00322.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:932f9c0214e2d49d179f958da25e5ee64104c7b8c7440f835a3beaf785074264 +size 5906386 diff --git a/QM9_tddft/raw/00330.pt b/QM9_tddft/raw/00330.pt new file mode 100644 index 0000000000000000000000000000000000000000..67c4cc6d84fe14ef062eb2accd99a1390d6d5163 --- /dev/null +++ b/QM9_tddft/raw/00330.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c5dca809ef9a03c6d3ebe7509ce41d1366dc2fead286725fabd70a3d78dbec3 +size 4684370 diff --git a/QM9_tddft/raw/00331.pt b/QM9_tddft/raw/00331.pt new file mode 100644 index 0000000000000000000000000000000000000000..c13fb10fdf610320a008ac36a6b3af467ad6b698 --- /dev/null +++ b/QM9_tddft/raw/00331.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6086f2c364199257100b147d5819cbb8bf08722432ddf83347ed83c29be4879 +size 3943698 diff --git a/QM9_tddft/raw/00332.pt b/QM9_tddft/raw/00332.pt new file mode 100644 index 0000000000000000000000000000000000000000..5303dfb46ffb5c902ce98868708c2902b35ea21d --- /dev/null +++ b/QM9_tddft/raw/00332.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee6c94176c5800895841a0ac17c14c8635c0fcfdbf6dc8be7f3acba3a932f480 +size 5243090 diff --git a/QM9_tddft/raw/00345.pt b/QM9_tddft/raw/00345.pt new file mode 100644 index 0000000000000000000000000000000000000000..ed308f147a1aea0c8dea364fb37c2fd7af007770 --- /dev/null +++ b/QM9_tddft/raw/00345.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec27ce257aeeda0b3dce207a9ae5659ceed0116bd726b5cd1b0bc9d55c41fcc4 +size 5934994 diff --git a/QM9_tddft/raw/00347.pt b/QM9_tddft/raw/00347.pt new file mode 100644 index 0000000000000000000000000000000000000000..a4582243c08ca3acacb167a4a19ce77d27d06f65 --- /dev/null +++ b/QM9_tddft/raw/00347.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ea551e74b7722a585f17c5dd8838400b08dd57e6dd8188211a2a5db58c0bbb6 +size 4813650 diff --git a/QM9_tddft/raw/00360.pt b/QM9_tddft/raw/00360.pt new file mode 100644 index 0000000000000000000000000000000000000000..098eed886419d823bdbb9fec094ca9e5f385c225 --- /dev/null +++ b/QM9_tddft/raw/00360.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7eddd03cfd0f749fd4833817803d95fd312647ae2b942ef737bfe137b5e17d4f +size 3889618 diff --git a/QM9_tddft/raw/00361.pt b/QM9_tddft/raw/00361.pt new file mode 100644 index 0000000000000000000000000000000000000000..7e6367890c8323c61d81cbaddc6b41663db54a01 --- /dev/null +++ b/QM9_tddft/raw/00361.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1ba7251554be361f3fe3d40b649fc59a26fb49e6a0f896b4112625a2b79e654 +size 5140242 diff --git a/QM9_tddft/raw/00385.pt b/QM9_tddft/raw/00385.pt new file mode 100644 index 0000000000000000000000000000000000000000..03aac0c6eea5180c1f98680323c7bd8b9770b147 --- /dev/null +++ b/QM9_tddft/raw/00385.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e0e9f297a5a674960c966051701b904256ab57e20e7ebf85740719121207758 +size 5243090 diff --git a/QM9_tddft/raw/00389.pt b/QM9_tddft/raw/00389.pt new file mode 100644 index 0000000000000000000000000000000000000000..c7d431ec6cdbd0242154a352d33ac15d1d9ee23f --- /dev/null +++ b/QM9_tddft/raw/00389.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7c35bb0aff8ba91e76fd107610a219e7fe1555260eb8b369af5b1c26bd34614 +size 4942866 diff --git a/QM9_tddft/raw/00393.pt b/QM9_tddft/raw/00393.pt new file mode 100644 index 0000000000000000000000000000000000000000..cdd6f52e1220978328474f740396eb0f0b2679d7 --- /dev/null +++ b/QM9_tddft/raw/00393.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ff6fdf4ab90c503f30e619f21a591756f0470c5e0a2e81bafa5dcdc65784d3d +size 5445970 diff --git a/QM9_tddft/raw/00394.pt b/QM9_tddft/raw/00394.pt new file mode 100644 index 0000000000000000000000000000000000000000..964865bf02594e4d55177c6f38fe36aa816b8953 --- /dev/null +++ b/QM9_tddft/raw/00394.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b24a9bb1249d30853811aa7cb539e66cf2ffee552342e0e176d88f2b45863e0b +size 5140242 diff --git a/QM9_tddft/raw/00396.pt b/QM9_tddft/raw/00396.pt new file mode 100644 index 0000000000000000000000000000000000000000..6ff9244af97b46e33771447756182c7785869fa5 --- /dev/null +++ b/QM9_tddft/raw/00396.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:059fd05b8a0617f2758d26dd4b4b84d0c0a322392ac1722e38ec6b8b9461690b +size 5445970 diff --git a/QM9_tddft/raw/00398.pt b/QM9_tddft/raw/00398.pt new file mode 100644 index 0000000000000000000000000000000000000000..0eac44627c258e443074317a7901b7419fb89a72 --- /dev/null +++ b/QM9_tddft/raw/00398.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e74df5b6fad24bb92da0eb0d6b35ef4a7b9613bb996953458b61fd38954bb80 +size 5587346 diff --git a/QM9_tddft/raw/00399.pt b/QM9_tddft/raw/00399.pt new file mode 100644 index 0000000000000000000000000000000000000000..ef83cae8d5d0e9ceb86b9e07672b2da623f29a1f --- /dev/null +++ b/QM9_tddft/raw/00399.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b13f766e7d6ddca3d1217b49eaf9180079b233f2d7174cc6b7c9c16cc8ecc13 +size 4843218 diff --git a/QM9_tddft/raw/00402.pt b/QM9_tddft/raw/00402.pt new file mode 100644 index 0000000000000000000000000000000000000000..0c64bb35fa02e6b77668bf75925b6868056e2972 --- /dev/null +++ b/QM9_tddft/raw/00402.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf50ee36327d8f2e2882d8164d2699dd0dd4723c0ece6e66ae8a700e0d65ac96 +size 4368978 diff --git a/QM9_tddft/raw/00405.pt b/QM9_tddft/raw/00405.pt new file mode 100644 index 0000000000000000000000000000000000000000..23cdbabf16afc64364d1576d6f2dcd7bab504d53 --- /dev/null +++ b/QM9_tddft/raw/00405.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:431672bf33d90aed6659adef7729e25bc34b381661bcfe5f17023316b5535f0e +size 5002898 diff --git a/QM9_tddft/raw/00412.pt b/QM9_tddft/raw/00412.pt new file mode 100644 index 0000000000000000000000000000000000000000..ac7c9e05edb0a26643a0e29243d55d07161e5a96 --- /dev/null +++ b/QM9_tddft/raw/00412.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ffaeb909ed355e073e44fec33d94d500361ed549f1b40f307201581e2339361f +size 1439570 diff --git a/QM9_tddft/raw/00420.pt b/QM9_tddft/raw/00420.pt new file mode 100644 index 0000000000000000000000000000000000000000..789ff9821bc0f19d3e32a6d1e4e352d7dac34167 --- /dev/null +++ b/QM9_tddft/raw/00420.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1fe509574541cee0bec389e2f5ee9446533c8f8e0bf2d72c2d96bbe0fd1e5717 +size 4368978 diff --git a/QM9_tddft/raw/00432.pt b/QM9_tddft/raw/00432.pt new file mode 100644 index 0000000000000000000000000000000000000000..b434fce4e45d7e9d97e5f8104a654a7c3f0bb7a6 --- /dev/null +++ b/QM9_tddft/raw/00432.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:900c4d70cb74d4d3fa57606c363cd09c2fddf1fe002b47c2ffd2c838c12d55c6 +size 3027346 diff --git a/QM9_tddft/raw/00436.pt b/QM9_tddft/raw/00436.pt new file mode 100644 index 0000000000000000000000000000000000000000..347c40f1d48b98c93042c99e8f1479ae42875d66 --- /dev/null +++ b/QM9_tddft/raw/00436.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c02064e1593eda8809f2773ac20f44684f8b60ffdfba27db7f4b65d808eb0941 +size 5109778 diff --git a/QM9_tddft/raw/00438.pt b/QM9_tddft/raw/00438.pt new file mode 100644 index 0000000000000000000000000000000000000000..3e51d42d245d16634f55893c4b8754464e35ad42 --- /dev/null +++ b/QM9_tddft/raw/00438.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f6c2cc69a6813619d69e778570560e9e1c6e4593b5b59cd5edcd7eeb1a4434a +size 4589458 diff --git a/QM9_tddft/raw/00444.pt b/QM9_tddft/raw/00444.pt new file mode 100644 index 0000000000000000000000000000000000000000..6fdce8d73768ea7ace7094719d670810c3f0d4eb --- /dev/null +++ b/QM9_tddft/raw/00444.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:492a16ac77ea38bd7aafa0947f5d2c99795e892ed26188aca94ebcc72e11b55e +size 4526098 diff --git a/QM9_tddft/raw/00445.pt b/QM9_tddft/raw/00445.pt new file mode 100644 index 0000000000000000000000000000000000000000..cbcee32fcab334dc4cd6cce47566f62a220d5054 --- /dev/null +++ b/QM9_tddft/raw/00445.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:100b4233150f984c7b1704f32f3f22975f1c8dbdb410471439b3ca0f2112fd47 +size 5140242 diff --git a/QM9_tddft/raw/00452.pt b/QM9_tddft/raw/00452.pt new file mode 100644 index 0000000000000000000000000000000000000000..64f57d4c8e1a76359e5d19d1b7f644458ea3ac83 --- /dev/null +++ b/QM9_tddft/raw/00452.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f90d2f2a0a7d6cccca3d655c83924f7517ddda5ba4f2b63dbe3cd56916f34bb6 +size 5414930 diff --git a/QM9_tddft/raw/00457.pt b/QM9_tddft/raw/00457.pt new file mode 100644 index 0000000000000000000000000000000000000000..d5ae5f7791a6b78ed8eabbcbb9c23c5d355e87ef --- /dev/null +++ b/QM9_tddft/raw/00457.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01dcd4c891c94b829904797d4be49b835ac22ab18a7f8267d4fa2d6c6b953086 +size 4747858 diff --git a/QM9_tddft/raw/00466.pt b/QM9_tddft/raw/00466.pt new file mode 100644 index 0000000000000000000000000000000000000000..c9de3f188d1df7d1d94b978275ec0d69d6373017 --- /dev/null +++ b/QM9_tddft/raw/00466.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fcf3f4109892d2b713a8f47d8e2a9d5221dc5255564da3c2c4e3c439c66cf9e7 +size 2983890 diff --git a/QM9_tddft/raw/00467.pt b/QM9_tddft/raw/00467.pt new file mode 100644 index 0000000000000000000000000000000000000000..7605642300192febe8b60e5ee057b0ce3a112f65 --- /dev/null +++ b/QM9_tddft/raw/00467.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:353b4f5cac075ec0e72bc82e015337b5f9f23e73eb82e2a912b895371a0e6837 +size 5140242 diff --git a/QM9_tddft/raw/00471.pt b/QM9_tddft/raw/00471.pt new file mode 100644 index 0000000000000000000000000000000000000000..336a066cc9816887c08a5915520c990884be990a --- /dev/null +++ b/QM9_tddft/raw/00471.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91ca087051bbd158db4799b14fd3ef977f00b26318f26e6e19375465f93183de +size 4684370 diff --git a/QM9_tddft/raw/00475.pt b/QM9_tddft/raw/00475.pt new file mode 100644 index 0000000000000000000000000000000000000000..f225fcea0ae75433f96fbee88eca395ab984e554 --- /dev/null +++ b/QM9_tddft/raw/00475.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05a9e08843e3593490151eab66e662fcfd4622b2b23c0697290f0b108725dcc5 +size 4906898 diff --git a/QM9_tddft/raw/00477.pt b/QM9_tddft/raw/00477.pt new file mode 100644 index 0000000000000000000000000000000000000000..fe99bc56afafecdc3dc828cae78b03dc7c6cd6f0 --- /dev/null +++ b/QM9_tddft/raw/00477.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:61c22b2592e8b8aa7ed7d3303998dbe6783ca41415603d81eb2f4652caa51b86 +size 5587346 diff --git a/QM9_tddft/raw/00480.pt b/QM9_tddft/raw/00480.pt new file mode 100644 index 0000000000000000000000000000000000000000..32df2b80a1615646d52f1bd1bf3729e6592ab5ce --- /dev/null +++ b/QM9_tddft/raw/00480.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:713c776e231928e7c42eaf31e8a73d7d2d20a7178fdf283367ef87de5f33ccfe +size 5445970 diff --git a/QM9_tddft/raw/00481.pt b/QM9_tddft/raw/00481.pt new file mode 100644 index 0000000000000000000000000000000000000000..909d7c3e130a64ff95950a3080bad6c74a4cc887 --- /dev/null +++ b/QM9_tddft/raw/00481.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d22aba10aa22dee9bc10ec0a8c80349de2be5fee7f6afe1e4dd774713c3c784 +size 5760850 diff --git a/QM9_tddft/raw/00486.pt b/QM9_tddft/raw/00486.pt new file mode 100644 index 0000000000000000000000000000000000000000..8081e12066281d873255d924e0099338d1f00fa3 --- /dev/null +++ b/QM9_tddft/raw/00486.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afd49259bab5c8fa33e98f9c51f58ad0495461981a2fcd1389a6b6efdf7bcafb +size 4037394 diff --git a/QM9_tddft/raw/00490.pt b/QM9_tddft/raw/00490.pt new file mode 100644 index 0000000000000000000000000000000000000000..ad24165647bdf1ff8d9b4a7f425f991c50dfa6d3 --- /dev/null +++ b/QM9_tddft/raw/00490.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71524a88ea8dea2560737e4ee899eb6e9e32fd8725580df30a2107ea5e80a311 +size 5109778 diff --git a/QM9_tddft/raw/00492.pt b/QM9_tddft/raw/00492.pt new file mode 100644 index 0000000000000000000000000000000000000000..f0ea1a88cbd32f4e9f299406fdcd0200569c2706 --- /dev/null +++ b/QM9_tddft/raw/00492.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7218130610b18d1310f3431e97652e41dde7c436977e3b6e9b19db2ac5668ce0 +size 3521170 diff --git a/QM9_tddft/raw/00498.pt b/QM9_tddft/raw/00498.pt new file mode 100644 index 0000000000000000000000000000000000000000..5f8cfbab4fa559119ef5a20bed81e823a3b8b7ed --- /dev/null +++ b/QM9_tddft/raw/00498.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09df29c3dbe4912bcf16099eff85504693b7e8df299743efefa8f37d12db94a0 +size 5470034 diff --git a/QM9_tddft/raw/00503.pt b/QM9_tddft/raw/00503.pt new file mode 100644 index 0000000000000000000000000000000000000000..ec1b0f1c85df1227bd235098d800fca069093e21 --- /dev/null +++ b/QM9_tddft/raw/00503.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:570ba088b735eb0deae6aeb19c458fe5a0ad0f81858fa85d1971cb0333f31e2d +size 4368978 diff --git a/QM9_tddft/raw/00505.pt b/QM9_tddft/raw/00505.pt new file mode 100644 index 0000000000000000000000000000000000000000..792706e70d625cf3c34bbd6a2dfda639223505c2 --- /dev/null +++ b/QM9_tddft/raw/00505.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1c1a116dc9d9f8ea24145421bac787d794b53fa1dbc776e5f75ab2498b62350 +size 5277586 diff --git a/QM9_tddft/raw/00518.pt b/QM9_tddft/raw/00518.pt new file mode 100644 index 0000000000000000000000000000000000000000..8f52c24b06efa63c8ca84f6dfefa40fbd928d784 --- /dev/null +++ b/QM9_tddft/raw/00518.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ec999cc14857bcaac7fd7b84bc710470fee10c0d7aa85c95fa9eaf3b6861b43 +size 5140242 diff --git a/QM9_tddft/raw/00521.pt b/QM9_tddft/raw/00521.pt new file mode 100644 index 0000000000000000000000000000000000000000..7eb5d0f198c602e253a2b2a58af4f67f124229d4 --- /dev/null +++ b/QM9_tddft/raw/00521.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de7b260406b3ea1dc9b6b8fd5cec18088d36db5158c6dedb1390f44dbc918bdb +size 4651346 diff --git a/QM9_tddft/raw/00527.pt b/QM9_tddft/raw/00527.pt new file mode 100644 index 0000000000000000000000000000000000000000..bcdd422e22916993a19d38f35e94b5885f32a454 --- /dev/null +++ b/QM9_tddft/raw/00527.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f39c5d1f1b6084bae5300fde61c28d633150b231d0d061ae5de7b3c4350c88a1 +size 5140242 diff --git a/QM9_tddft/raw/00528.pt b/QM9_tddft/raw/00528.pt new file mode 100644 index 0000000000000000000000000000000000000000..664cfb97b22a8e088c814c680c4dd5f77e01e55c --- /dev/null +++ b/QM9_tddft/raw/00528.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0d19f64238c7191ffaa026a367aa8eb40aa2c63b4a009621dd6ab38cc042d6b +size 5615442 diff --git a/QM9_tddft/raw/00538.pt b/QM9_tddft/raw/00538.pt new file mode 100644 index 0000000000000000000000000000000000000000..44b91f789684b7cebb801070ad8593c5259df6c2 --- /dev/null +++ b/QM9_tddft/raw/00538.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e50d437a654d70a9c9db01753d9da26b56bec1e58ea074068fe707b4d381d79 +size 5109778 diff --git a/QM9_tddft/raw/00540.pt b/QM9_tddft/raw/00540.pt new file mode 100644 index 0000000000000000000000000000000000000000..bd2587a70fd15cd372a8eb7d59b3f8df00ddde5b --- /dev/null +++ b/QM9_tddft/raw/00540.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebbb8d96d9d03e1d8897d96489666e88ac61fe9d440f64fd95420cecac83e10d +size 4589458 diff --git a/QM9_tddft/raw/00543.pt b/QM9_tddft/raw/00543.pt new file mode 100644 index 0000000000000000000000000000000000000000..a4f425135a34517279e54f66ac27d638a457c558 --- /dev/null +++ b/QM9_tddft/raw/00543.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:681895bbe6af044bc1afe9562402751a8f1990a9304a84405c6e0c5dc39e1746 +size 5760850 diff --git a/QM9_tddft/raw/00546.pt b/QM9_tddft/raw/00546.pt new file mode 100644 index 0000000000000000000000000000000000000000..92212cdb25b3095cba590907458708a3e27731a6 --- /dev/null +++ b/QM9_tddft/raw/00546.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:611738ac7d7d89c364bef8123fd94dd7c665cf1189a9cca859847ee05bc0375e +size 4329682 diff --git a/QM9_tddft/raw/00555.pt b/QM9_tddft/raw/00555.pt new file mode 100644 index 0000000000000000000000000000000000000000..484d3e6dbc0eb911e65ec56a5bd0237a60684876 --- /dev/null +++ b/QM9_tddft/raw/00555.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b39319fa0a084f395a28ab65e9d6376dbd0d579726f647b312e6ab1bacef4c87 +size 4976530 diff --git a/QM9_tddft/raw/00566.pt b/QM9_tddft/raw/00566.pt new file mode 100644 index 0000000000000000000000000000000000000000..ea20e51098dc9116c45386324f7867275e2f2a2e --- /dev/null +++ b/QM9_tddft/raw/00566.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b18e24a1b1f1e714e81d4b1fa4c038f5b26fef5dc0313444950040539a5eb599 +size 4942866 diff --git a/QM9_tddft/raw/00569.pt b/QM9_tddft/raw/00569.pt new file mode 100644 index 0000000000000000000000000000000000000000..1a149b3bc0684663f4d873bd7b6158135bd45401 --- /dev/null +++ b/QM9_tddft/raw/00569.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:680a3d1dff4be324bf7ed80e63e614fcf94a3dbfee79ec625f140796b0547cbc +size 4170066 diff --git a/QM9_tddft/raw/00571.pt b/QM9_tddft/raw/00571.pt new file mode 100644 index 0000000000000000000000000000000000000000..b585b0a2b7f5541919370630a7a988a4a5d419ac --- /dev/null +++ b/QM9_tddft/raw/00571.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9506d20322a9399f44c481ae430b90e003a131d48db258004f9e21b4a2974898 +size 5587346 diff --git a/QM9_tddft/raw/00575.pt b/QM9_tddft/raw/00575.pt new file mode 100644 index 0000000000000000000000000000000000000000..61bcd921f0a77231b307996c7dfb7cf1cbbfe9bb --- /dev/null +++ b/QM9_tddft/raw/00575.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f26de5e1a3b07f63b48a9febfcc29ff8344d9b785db7f35ac2bdde39abb07a6a +size 6109970 diff --git a/QM9_tddft/raw/00576.pt b/QM9_tddft/raw/00576.pt new file mode 100644 index 0000000000000000000000000000000000000000..8419030612d2d51c3e8173148b397c88c3688dae --- /dev/null +++ b/QM9_tddft/raw/00576.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b2de53c9ffc6c8a26b60f0a2a7fb8193280a711ef65e8e8521e5ae7997b8c90 +size 4431890 diff --git a/QM9_tddft/raw/00580.pt b/QM9_tddft/raw/00580.pt new file mode 100644 index 0000000000000000000000000000000000000000..13eece7d9890b32ef17ad6b494d7ef529ac96113 --- /dev/null +++ b/QM9_tddft/raw/00580.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba966e77c0439ace3fb382a0fad2e33a53426068dec3c6aa0ef128b8d56b6ddb +size 5956498 diff --git a/QM9_tddft/raw/00581.pt b/QM9_tddft/raw/00581.pt new file mode 100644 index 0000000000000000000000000000000000000000..9cfb264d11c633eda632332a87d710a755ae8f0f --- /dev/null +++ b/QM9_tddft/raw/00581.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:582ce415bc7d04986bb2c396bf929002048785e082e69a35c70e686208081cad +size 4813650 diff --git a/QM9_tddft/raw/00590.pt b/QM9_tddft/raw/00590.pt new file mode 100644 index 0000000000000000000000000000000000000000..6240b17c80858f57a20ec372ac67e99acf1f5bc7 --- /dev/null +++ b/QM9_tddft/raw/00590.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c35331ecb9f07907e3d667aaaed13981eadddcd7ce7a151eec231403ad9fe3cc +size 4651346 diff --git a/QM9_tddft/raw/00591.pt b/QM9_tddft/raw/00591.pt new file mode 100644 index 0000000000000000000000000000000000000000..7fcccc2500e5a6c4236a1c269d7b1c1505fc2a3d --- /dev/null +++ b/QM9_tddft/raw/00591.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb16260dbcc6405cbae23605d8a3cb9ec29b7eedb66c7f96f66510f38231ca8b +size 6263570 diff --git a/QM9_tddft/raw/00592.pt b/QM9_tddft/raw/00592.pt new file mode 100644 index 0000000000000000000000000000000000000000..1b4e561d60396b37e11b5e6ea3a59e3c5acf2d43 --- /dev/null +++ b/QM9_tddft/raw/00592.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f84c4cfed1da8a9286899267f49da67e1fdea6eeaf61ada223fcd2e9d8037d7 +size 4942866 diff --git a/QM9_tddft/raw/00594.pt b/QM9_tddft/raw/00594.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c0a77b8c53cca685f74e0b4c35c327698c0de6f --- /dev/null +++ b/QM9_tddft/raw/00594.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1149dadc26adf6d38bbd71c339ac13ec89da70718aa3c79150b0517fa6312ab9 +size 4942866 diff --git a/QM9_tddft/raw/00602.pt b/QM9_tddft/raw/00602.pt new file mode 100644 index 0000000000000000000000000000000000000000..e8242a190de9d9500936cb65dadcaa4df3772da2 --- /dev/null +++ b/QM9_tddft/raw/00602.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53de633f8f015d05fbbbad40f1c8aafb484ce3a26bf4b6b1f731d96f9f3bda0d +size 4813650 diff --git a/QM9_tddft/raw/00604.pt b/QM9_tddft/raw/00604.pt new file mode 100644 index 0000000000000000000000000000000000000000..b73c54ff77540a2736249672891c478a59aaba20 --- /dev/null +++ b/QM9_tddft/raw/00604.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a0da5c60e75539d3658af54373940439b922ecb6fce11478e9c3df70fb47c8e +size 3901970 diff --git a/QM9_tddft/raw/00608.pt b/QM9_tddft/raw/00608.pt new file mode 100644 index 0000000000000000000000000000000000000000..353c37611bee72d827138bdc280985da2780cef6 --- /dev/null +++ b/QM9_tddft/raw/00608.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:daf7636974310a81b56b824ed32462355329488083288ca4d9cf053c71f864fa +size 4684370 diff --git a/QM9_tddft/raw/00617.pt b/QM9_tddft/raw/00617.pt new file mode 100644 index 0000000000000000000000000000000000000000..8265cb15498de0f0f94a2cbfba8c7480501bdb07 --- /dev/null +++ b/QM9_tddft/raw/00617.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:abab7f0b8c3f068f4a8e44f67781f50c504045f8c35ba3806cb5b4ce4607b712 +size 4651346 diff --git a/QM9_tddft/raw/00618.pt b/QM9_tddft/raw/00618.pt new file mode 100644 index 0000000000000000000000000000000000000000..682aaaae09b9d26569b7d34e8cdc0410cc6052cc --- /dev/null +++ b/QM9_tddft/raw/00618.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f11041a03d527fad08d3d4b8a9cbb4a65009fa54c4c028ededc817630a256c52 +size 4274898 diff --git a/QM9_tddft/raw/00621.pt b/QM9_tddft/raw/00621.pt new file mode 100644 index 0000000000000000000000000000000000000000..de4adcd9dd00e13477d9e3927b4ee7b03944500f --- /dev/null +++ b/QM9_tddft/raw/00621.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0a48fa8597f655ba09e9dcaaf850aedf81b32a6bf84bd94591c9c8665e1999c +size 5243090 diff --git a/QM9_tddft/raw/00627.pt b/QM9_tddft/raw/00627.pt new file mode 100644 index 0000000000000000000000000000000000000000..d8e14b371cd0dae89113e1102f0613bad19894b9 --- /dev/null +++ b/QM9_tddft/raw/00627.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc614f01feb2938db039565397150b4a778b04aa06a9e308b99ba735fa9f70ef +size 6109970 diff --git a/QM9_tddft/raw/00634.pt b/QM9_tddft/raw/00634.pt new file mode 100644 index 0000000000000000000000000000000000000000..2d50c04b8153aea4c2b9c862450229ed88de5752 --- /dev/null +++ b/QM9_tddft/raw/00634.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1554277eda9bd0865cad0ef05989521f100a9819f5d9f93038ccec4f14859b29 +size 5760850 diff --git a/QM9_tddft/raw/00637.pt b/QM9_tddft/raw/00637.pt new file mode 100644 index 0000000000000000000000000000000000000000..2130154cd346d8db0e9c6fc9b68afd33a9a6ad72 --- /dev/null +++ b/QM9_tddft/raw/00637.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4cf4e9092a8c510a2dbf0867c8b6f4b0879d5fc43c54b2335239036ed4bb3588 +size 4813650 diff --git a/QM9_tddft/raw/00642.pt b/QM9_tddft/raw/00642.pt new file mode 100644 index 0000000000000000000000000000000000000000..bcd6b172b616d35419ea707bb79f66649d36e79c --- /dev/null +++ b/QM9_tddft/raw/00642.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3001650c8be41696869049859b0995e163267080b328e2d48fb4b107a3986ba +size 5243090 diff --git a/QM9_tddft/raw/00646.pt b/QM9_tddft/raw/00646.pt new file mode 100644 index 0000000000000000000000000000000000000000..872d3036918a5e8d4228ece5e2bcfb5643f50523 --- /dev/null +++ b/QM9_tddft/raw/00646.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5e9ec8d849f9fb9bcc0243e09a1a550062209dd0cae09b404a954dcfadb9e33 +size 4308946 diff --git a/QM9_tddft/raw/00653.pt b/QM9_tddft/raw/00653.pt new file mode 100644 index 0000000000000000000000000000000000000000..8fedb1d7ec62aa8f81755abd6e98c4e6daf816e2 --- /dev/null +++ b/QM9_tddft/raw/00653.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80cd858ec6eea153b6f7d683bea8e0d57fdd551c1ad97bb64e9c6e35e28fe03b +size 4247634 diff --git a/QM9_tddft/raw/00666.pt b/QM9_tddft/raw/00666.pt new file mode 100644 index 0000000000000000000000000000000000000000..febb6b66be91984a9b28ed23b2106e3b5c4fcc12 --- /dev/null +++ b/QM9_tddft/raw/00666.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:738b642b6dce043ef4257fa9a4e9cab1d63f944b9c63477e063f23764a2f7fd1 +size 4170066 diff --git a/QM9_tddft/raw/00676.pt b/QM9_tddft/raw/00676.pt new file mode 100644 index 0000000000000000000000000000000000000000..0a8faefee7f69ff08451a5570c0087ad388ae6c0 --- /dev/null +++ b/QM9_tddft/raw/00676.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbe8efe45870b22762e4c1821faeb86b49fad3abb46a820488703248d6e62b35 +size 3596306 diff --git a/QM9_tddft/raw/00678.pt b/QM9_tddft/raw/00678.pt new file mode 100644 index 0000000000000000000000000000000000000000..e388f8f7325e5e517db5aa5b4b9dcf9cb324eea1 --- /dev/null +++ b/QM9_tddft/raw/00678.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8904dffc1bffe336a6266348674cb62758d987be167f9e66ae32c34a12b05e6 +size 4119058 diff --git a/QM9_tddft/raw/00687.pt b/QM9_tddft/raw/00687.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2f309748064e415be8d085579711a7b96daf366 --- /dev/null +++ b/QM9_tddft/raw/00687.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:480e3c31416a8ba01ae233060da0aacde5f89575b008413d6843a993582059fd +size 3889618 diff --git a/QM9_tddft/raw/00689.pt b/QM9_tddft/raw/00689.pt new file mode 100644 index 0000000000000000000000000000000000000000..edeaa804007abbf861887fe97c23b05fecdda351 --- /dev/null +++ b/QM9_tddft/raw/00689.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa2f0d8c169d82137dc6a33574e86e1b884574aaa1df44484e2523023cbab239 +size 4400786 diff --git a/QM9_tddft/raw/00691.pt b/QM9_tddft/raw/00691.pt new file mode 100644 index 0000000000000000000000000000000000000000..815842a93dba4309b7fc53b3093557623eff87c9 --- /dev/null +++ b/QM9_tddft/raw/00691.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8e7912730efaa9cf0d17b30d1d2a820efa12c0948dea76a28cd3ee84257854d +size 5615442 diff --git a/QM9_tddft/raw/00698.pt b/QM9_tddft/raw/00698.pt new file mode 100644 index 0000000000000000000000000000000000000000..e5efdb62181a6f4bc645d7dd10bd2c7ca7108026 --- /dev/null +++ b/QM9_tddft/raw/00698.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:23ab2ba868de419c0f52d0c98a7a288238becdc7da993e04b87d62017e7a3735 +size 4651346 diff --git a/QM9_tddft/raw/00704.pt b/QM9_tddft/raw/00704.pt new file mode 100644 index 0000000000000000000000000000000000000000..5a14d25cfb44624533acb91bff7e61f2db6098a5 --- /dev/null +++ b/QM9_tddft/raw/00704.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73fdd5a1646c56d5153d56b382040d16ea3379c160ac7892d1733c16bf0fb989 +size 5587346 diff --git a/QM9_tddft/raw/00712.pt b/QM9_tddft/raw/00712.pt new file mode 100644 index 0000000000000000000000000000000000000000..5590bf8c68a541f40d486ae5ba8774920fd6c966 --- /dev/null +++ b/QM9_tddft/raw/00712.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d10f88c4873219f98a6d0b7c2c577f66062e682fcfe37f6d778b7d1544415353 +size 5615442 diff --git a/QM9_tddft/raw/00716.pt b/QM9_tddft/raw/00716.pt new file mode 100644 index 0000000000000000000000000000000000000000..2d140e766d9973781087313870d424e4e18371ff --- /dev/null +++ b/QM9_tddft/raw/00716.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ca0d9f23236671be1b7008bd4401b583adf0d802cd8bf16396d12254a0c5d73 +size 5445970 diff --git a/QM9_tddft/raw/00719.pt b/QM9_tddft/raw/00719.pt new file mode 100644 index 0000000000000000000000000000000000000000..c893f435fda790beb9d4665726176360e49b37cf --- /dev/null +++ b/QM9_tddft/raw/00719.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5ee34bcb55ed86a52b1cf062af59b25325183e4f1d93a2c6cf3948d654a4fe7 +size 5109778 diff --git a/QM9_tddft/raw/00725.pt b/QM9_tddft/raw/00725.pt new file mode 100644 index 0000000000000000000000000000000000000000..f7f61f9affbca4e391db94f60b1cd6e9abb08fd5 --- /dev/null +++ b/QM9_tddft/raw/00725.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd45f284c1cd1f8fc843ce56fa0d85197327f046e380b0b5e9c88927c6c46f06 +size 2669330 diff --git a/QM9_tddft/raw/00734.pt b/QM9_tddft/raw/00734.pt new file mode 100644 index 0000000000000000000000000000000000000000..7433869b8667df1f086606b2e731c6dd37aa46d9 --- /dev/null +++ b/QM9_tddft/raw/00734.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb6bc9a4d136fb3ec68d9b9f14bde78977fcfc188a6b89693a32c97c2a93a76a +size 2886162 diff --git a/QM9_tddft/raw/00735.pt b/QM9_tddft/raw/00735.pt new file mode 100644 index 0000000000000000000000000000000000000000..9b3d7f0a18827c332c85557409f53ae5d11c452c --- /dev/null +++ b/QM9_tddft/raw/00735.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af2cf0dcaf2c0edbcf1cc8df10d15029c1fe05df6a8cb912327ddc84156c9a2b +size 4747858 diff --git a/QM9_tddft/raw/00737.pt b/QM9_tddft/raw/00737.pt new file mode 100644 index 0000000000000000000000000000000000000000..fba47e4abaa4f150976d7935b9f3771cac741872 --- /dev/null +++ b/QM9_tddft/raw/00737.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8316a3a2055adfc39b9da935143bd1d97c4fb4b97bfc9f9e75acd4368a34c08 +size 5785554 diff --git a/QM9_tddft/raw/00741.pt b/QM9_tddft/raw/00741.pt new file mode 100644 index 0000000000000000000000000000000000000000..317d803168626303974f82850e980425d6fa9ac5 --- /dev/null +++ b/QM9_tddft/raw/00741.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1f2e22af31d2f3b41c86b3eecf08d8d7d56415a0de5a65163a0e46b647824ac9 +size 5445970 diff --git a/QM9_tddft/raw/00742.pt b/QM9_tddft/raw/00742.pt new file mode 100644 index 0000000000000000000000000000000000000000..2f21a044d241c0ba3109f89f20902b697c00fad6 --- /dev/null +++ b/QM9_tddft/raw/00742.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73dcde6067465dfe7f1e5cda9f6d146dc081e64416feed92b0f8596c5986bf1a +size 4813650 diff --git a/QM9_tddft/raw/00746.pt b/QM9_tddft/raw/00746.pt new file mode 100644 index 0000000000000000000000000000000000000000..505da89147e0291652dd107aa12003230503c698 --- /dev/null +++ b/QM9_tddft/raw/00746.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b251b3f1816d717faae36352e8f8936a37674d091a6e6922ca540371be319dc +size 5109778 diff --git a/QM9_tddft/raw/00749.pt b/QM9_tddft/raw/00749.pt new file mode 100644 index 0000000000000000000000000000000000000000..2a4491c9db9aef12e9afbe0c22a851d85adf49d3 --- /dev/null +++ b/QM9_tddft/raw/00749.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa741a30794b071fd83922222931bac0dbcbd9665f2962bb29bfba26defbdd2b +size 5760850 diff --git a/QM9_tddft/raw/00752.pt b/QM9_tddft/raw/00752.pt new file mode 100644 index 0000000000000000000000000000000000000000..777e2c23475182ee4ab37cf14965c5df624d36cb --- /dev/null +++ b/QM9_tddft/raw/00752.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c588c0e0a290d8acc065d4e2095eadddb0be45f5ad6d88f443a98e02377d9677 +size 4684370 diff --git a/QM9_tddft/raw/00755.pt b/QM9_tddft/raw/00755.pt new file mode 100644 index 0000000000000000000000000000000000000000..bbf8161a640083f34875c8913634e82c07ea6a30 --- /dev/null +++ b/QM9_tddft/raw/00755.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b11eedd76b56f3e6c73eb0290b1f8a1f3a6d5456ce0e9480c83d6945f5019da +size 5109778 diff --git a/QM9_tddft/raw/00760.pt b/QM9_tddft/raw/00760.pt new file mode 100644 index 0000000000000000000000000000000000000000..2774f0389fc5a3e3db565e37e6ab36e53ae4c49e --- /dev/null +++ b/QM9_tddft/raw/00760.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0090cc06981860505d2f1e144a759ff3735f5fa305e324d6ee51db07c6daa5d3 +size 5470034 diff --git a/QM9_tddft/raw/00765.pt b/QM9_tddft/raw/00765.pt new file mode 100644 index 0000000000000000000000000000000000000000..3d8676e4cb8a440b58b690fdf1a4749344e7b4ec --- /dev/null +++ b/QM9_tddft/raw/00765.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d9ea427fc1b4067f0fb9acd86374d3c6647086edcb4fb5b6c1c2fcf515f88a6 +size 4308946 diff --git a/QM9_tddft/raw/00768.pt b/QM9_tddft/raw/00768.pt new file mode 100644 index 0000000000000000000000000000000000000000..5a398b36e1da721d32354655fc3b92424b32d402 --- /dev/null +++ b/QM9_tddft/raw/00768.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:daf68fc296f687e41575a81ccb9d94f5532acfab190c6fdba02a90fbc16958a7 +size 5277586 diff --git a/QM9_tddft/raw/00773.pt b/QM9_tddft/raw/00773.pt new file mode 100644 index 0000000000000000000000000000000000000000..5494e75c96bb059627a116ef0a374db901a7bc87 --- /dev/null +++ b/QM9_tddft/raw/00773.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9128eebdaf1fb375dff4fe9bef910084b3994a68258c084565e97daf537173e +size 4526098 diff --git a/QM9_tddft/raw/00774.pt b/QM9_tddft/raw/00774.pt new file mode 100644 index 0000000000000000000000000000000000000000..8bcc8eb64d8686af212778c7e2c5f16e04eac6bf --- /dev/null +++ b/QM9_tddft/raw/00774.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:17070963c5af6371f72a35cb47d29f7cf101e86e05bc9457052ae1d5c3a42b3f +size 3943698 diff --git a/QM9_tddft/raw/00786.pt b/QM9_tddft/raw/00786.pt new file mode 100644 index 0000000000000000000000000000000000000000..efd30f7eb49b5cd6e51bc7d9854409f8cf3c288f --- /dev/null +++ b/QM9_tddft/raw/00786.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea6daf0add280ccc0a2dea75e042d3181c8ab71a4e0b44ac162f9eea41c84434 +size 5277586 diff --git a/QM9_tddft/raw/00788.pt b/QM9_tddft/raw/00788.pt new file mode 100644 index 0000000000000000000000000000000000000000..2e700502c0231e3622022ebb50eec7d8b6024617 --- /dev/null +++ b/QM9_tddft/raw/00788.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22e7af41c5d440f327332101ebe828408e89886b8f58d24d1b32556eb7701e2e +size 5109778 diff --git a/QM9_tddft/raw/00797.pt b/QM9_tddft/raw/00797.pt new file mode 100644 index 0000000000000000000000000000000000000000..85ac516cfb401a998d4adb04a8af6c792d0f5983 --- /dev/null +++ b/QM9_tddft/raw/00797.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:08c4b0e6b7ae5f52d1a2b2c85e573618ee354cbc4ddeeb209c84645791712253 +size 4274898 diff --git a/QM9_tddft/raw/00801.pt b/QM9_tddft/raw/00801.pt new file mode 100644 index 0000000000000000000000000000000000000000..147f62b936577f946e04a55e0e1fc1a2813ad5cd --- /dev/null +++ b/QM9_tddft/raw/00801.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fefec2ee988f395864affeaf31efc27813f033dd4beb9cb867f02878202e5fa0 +size 5140242 diff --git a/QM9_tddft/raw/00813.pt b/QM9_tddft/raw/00813.pt new file mode 100644 index 0000000000000000000000000000000000000000..af6b86ded6ed47a342d73fe8914077f125d4a5c5 --- /dev/null +++ b/QM9_tddft/raw/00813.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e5b89e92b965673b0b0c48215f4cf58aff45a699503c6afcf30c6df692fc4ba +size 5728850 diff --git a/QM9_tddft/raw/00815.pt b/QM9_tddft/raw/00815.pt new file mode 100644 index 0000000000000000000000000000000000000000..2fd73adac60908e8f22fcad8d9f0afdb8d5e7bd0 --- /dev/null +++ b/QM9_tddft/raw/00815.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ecb59b941bab742c1decc0cbe195a3f67b6d4d7bec12d2140147adc4a32a212 +size 5615442 diff --git a/QM9_tddft/raw/00820.pt b/QM9_tddft/raw/00820.pt new file mode 100644 index 0000000000000000000000000000000000000000..95cd4fabb44fc19b8ac19d0c4c43f538dd1378d3 --- /dev/null +++ b/QM9_tddft/raw/00820.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dfbb435a85d7ef96c934132db42492e798135ccb302a37232d0d234dd5c5ed6f +size 4004178 diff --git a/QM9_tddft/raw/00824.pt b/QM9_tddft/raw/00824.pt new file mode 100644 index 0000000000000000000000000000000000000000..209793d06ab5fa6e021293e008682f14d5885477 --- /dev/null +++ b/QM9_tddft/raw/00824.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:805d371eabd2e4ea6e0b71fa0c6be40ecd6dae63e953ba8ce5da776a672ed522 +size 6109970 diff --git a/QM9_tddft/raw/00827.pt b/QM9_tddft/raw/00827.pt new file mode 100644 index 0000000000000000000000000000000000000000..fec9736288876b4385a9c3b15d8fa0112c869c8b --- /dev/null +++ b/QM9_tddft/raw/00827.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54f4dea73746ea751a3462d0b0efbd341ef3687ca6c005504465227d8e178e40 +size 4813650 diff --git a/QM9_tddft/raw/00829.pt b/QM9_tddft/raw/00829.pt new file mode 100644 index 0000000000000000000000000000000000000000..7d5d3bf48f5582c2fa92696ae636b5c9deb451a4 --- /dev/null +++ b/QM9_tddft/raw/00829.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1104e8e0a9c504bab4bab49174939321f3f9c28ce4fa4eb82d41c39d29fb5cc +size 6109970 diff --git a/QM9_tddft/raw/00830.pt b/QM9_tddft/raw/00830.pt new file mode 100644 index 0000000000000000000000000000000000000000..4d765d2f57aeb92cf77dc59df43d2829abcf5c07 --- /dev/null +++ b/QM9_tddft/raw/00830.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2509d140758ab904fff60c02188e16af32f9003d43eea75c0bf635d78a46300 +size 5445970 diff --git a/QM9_tddft/raw/00833.pt b/QM9_tddft/raw/00833.pt new file mode 100644 index 0000000000000000000000000000000000000000..4d48a5e243bb85844881a0ccc71530db16bef0b9 --- /dev/null +++ b/QM9_tddft/raw/00833.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9caf2eda5088cdd65af847538eb502ec5ace538f68476072eaa1801888915ce0 +size 4976530 diff --git a/QM9_tddft/raw/00835.pt b/QM9_tddft/raw/00835.pt new file mode 100644 index 0000000000000000000000000000000000000000..ecd0c3860549a7ee453489de9bcbb0f671fb717b --- /dev/null +++ b/QM9_tddft/raw/00835.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e20fc5cdd74df1d03d55f67d88eba17ae083d1d1df604532db22fc8488e0f2be +size 4906898 diff --git a/QM9_tddft/raw/00837.pt b/QM9_tddft/raw/00837.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a524e73f2826c8920de2c51fe5457c059d23841 --- /dev/null +++ b/QM9_tddft/raw/00837.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8dbc758acf6baf2555c5d1fe337508754fc1592663786ee4b616e248fbce2a1 +size 5760850 diff --git a/QM9_tddft/raw/00845.pt b/QM9_tddft/raw/00845.pt new file mode 100644 index 0000000000000000000000000000000000000000..c8305c5a2586d513bf3ac4d86fbd582af2ae7022 --- /dev/null +++ b/QM9_tddft/raw/00845.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fff6b77a651e2990290aa683b5081e27c0c7d02595f28574ec9f8be5dd1ff624 +size 4684370 diff --git a/QM9_tddft/raw/00849.pt b/QM9_tddft/raw/00849.pt new file mode 100644 index 0000000000000000000000000000000000000000..6bb3928c54c5301aebd163cff2618b08fa22a36d --- /dev/null +++ b/QM9_tddft/raw/00849.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c1c126dd4e90af5ba8c177840513c9e6e48b5c960c76110d659e179ec775286 +size 5445970 diff --git a/QM9_tddft/raw/00851.pt b/QM9_tddft/raw/00851.pt new file mode 100644 index 0000000000000000000000000000000000000000..cffdb66d147a0d188e1528efbef6330d8bb30a9e --- /dev/null +++ b/QM9_tddft/raw/00851.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a1c7d51eea44cf61ae7ae8918a845e552fc2c73abfded994869118a626fe2bc +size 6109970 diff --git a/QM9_tddft/raw/00853.pt b/QM9_tddft/raw/00853.pt new file mode 100644 index 0000000000000000000000000000000000000000..882ef7a31008ba59ad8063dd190cd2ef203c8b4d --- /dev/null +++ b/QM9_tddft/raw/00853.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea36cf44b378c855a9d8a342df86317ef1899bd0e23442d6c50630ae06ce5f77 +size 6109970 diff --git a/QM9_tddft/raw/00861.pt b/QM9_tddft/raw/00861.pt new file mode 100644 index 0000000000000000000000000000000000000000..6645a17997e02005cbb66be77a73e3762c695711 --- /dev/null +++ b/QM9_tddft/raw/00861.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e45785079069ad978ac7119a98bc671c4b10317357009147c617a7486f4aaea6 +size 3450706 diff --git a/QM9_tddft/raw/00872.pt b/QM9_tddft/raw/00872.pt new file mode 100644 index 0000000000000000000000000000000000000000..61a5b9cc2d62c6aef546b73ceacca918fbcb74f2 --- /dev/null +++ b/QM9_tddft/raw/00872.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13573edc8d404dd962922d27d91bb845e9e54c622b7e9ade8ce2a9a230e18995 +size 6109970 diff --git a/QM9_tddft/raw/00882.pt b/QM9_tddft/raw/00882.pt new file mode 100644 index 0000000000000000000000000000000000000000..50c35835e3f447588be3a1c24d60d60cbe431bad --- /dev/null +++ b/QM9_tddft/raw/00882.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03c88ba2501c475d631a6d2c25464d13ce74944d173afe5eba44a1eb9a2f61b9 +size 4490130 diff --git a/QM9_tddft/raw/00888.pt b/QM9_tddft/raw/00888.pt new file mode 100644 index 0000000000000000000000000000000000000000..b184234dbda5df85f991209b0a149e2f30aba396 --- /dev/null +++ b/QM9_tddft/raw/00888.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07c0139ef7bc6c5d24f311858dda7c2034fa778df3090fac2689b89135cfbdb1 +size 6109970 diff --git a/QM9_tddft/raw/00889.pt b/QM9_tddft/raw/00889.pt new file mode 100644 index 0000000000000000000000000000000000000000..58ca5265e462ccb6e2b1995d116fd77333a1da4c --- /dev/null +++ b/QM9_tddft/raw/00889.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:394ba860daf1badb514b36d6925cd0e363765422e039ec953a5a52e087bcffe6 +size 5445970 diff --git a/QM9_tddft/raw/00895.pt b/QM9_tddft/raw/00895.pt new file mode 100644 index 0000000000000000000000000000000000000000..ca97a53ea77d9e67da19a33c4181b3745598e442 --- /dev/null +++ b/QM9_tddft/raw/00895.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c76c2e4617ab7ced0a58cf5bbf0f643c7f8aeed7a249c4fee9dc8b96463aa2a0 +size 5277586 diff --git a/QM9_tddft/raw/00897.pt b/QM9_tddft/raw/00897.pt new file mode 100644 index 0000000000000000000000000000000000000000..a6ac903e8d49c1f3ba8d8205a255ec822b37094a --- /dev/null +++ b/QM9_tddft/raw/00897.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c11238ff799d1c420fe11f3fac3ba4b3cae82ec8fd8501f5463e8baa3bac4dfd +size 4526098 diff --git a/QM9_tddft/raw/00898.pt b/QM9_tddft/raw/00898.pt new file mode 100644 index 0000000000000000000000000000000000000000..97d2062923310c09ca448d10a6287bb981e33ca4 --- /dev/null +++ b/QM9_tddft/raw/00898.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf68c817a692c24d4fc7a358ca78da3301d711e3ecf22df551b0557ad4ced1b3 +size 5072146 diff --git a/QM9_tddft/raw/00907.pt b/QM9_tddft/raw/00907.pt new file mode 100644 index 0000000000000000000000000000000000000000..e1d91790b29616ba11b9cfbc6e11487b4e93c540 --- /dev/null +++ b/QM9_tddft/raw/00907.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7f110e4896e4f0bc464ecd5cc25dadb123ec48fa7764d3e5a3988c6bee3db09 +size 5277586 diff --git a/QM9_tddft/raw/00908.pt b/QM9_tddft/raw/00908.pt new file mode 100644 index 0000000000000000000000000000000000000000..8188ec42fa49bd9c0cc091961a5020a27a9f6180 --- /dev/null +++ b/QM9_tddft/raw/00908.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf93ebf0395e4a0c4ad65f0f9315ccac99e5614cfabb904ee1730201b5574791 +size 5140242 diff --git a/QM9_tddft/raw/00911.pt b/QM9_tddft/raw/00911.pt new file mode 100644 index 0000000000000000000000000000000000000000..103e8d2f0189b86eaa8ef768f0b042e6a637fdc2 --- /dev/null +++ b/QM9_tddft/raw/00911.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88af19379f073f2895092d1affcc0e97d0a0818933e4e94f517ad442de51ef31 +size 3774802 diff --git a/QM9_tddft/raw/00912.pt b/QM9_tddft/raw/00912.pt new file mode 100644 index 0000000000000000000000000000000000000000..901b5569a5b9aebac7e1daf7ac808f323d76f18a --- /dev/null +++ b/QM9_tddft/raw/00912.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96347682d29f22799838fa7219ab785f8968345ad85d447a0e703f2dfdf81d27 +size 4156050 diff --git a/QM9_tddft/raw/00917.pt b/QM9_tddft/raw/00917.pt new file mode 100644 index 0000000000000000000000000000000000000000..9f5d7fec3317ba5f64fe590d696fedf9fc7a8f33 --- /dev/null +++ b/QM9_tddft/raw/00917.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:28b3a74679ffb49666f739c4fdba0e9105e66e094cbcfd24cc5a026aba56788c +size 4942866 diff --git a/QM9_tddft/raw/00935.pt b/QM9_tddft/raw/00935.pt new file mode 100644 index 0000000000000000000000000000000000000000..bbc9fd0ea3a1fec67ce09af6369f1136d5e38495 --- /dev/null +++ b/QM9_tddft/raw/00935.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:923f081d78dbe31550a9a3e88f7a3e281cca09be5efec0d7ec5f9730d8a4507a +size 5304594 diff --git a/QM9_tddft/raw/00938.pt b/QM9_tddft/raw/00938.pt new file mode 100644 index 0000000000000000000000000000000000000000..823a06a4a870d627cd0840cb76d3f224714fc924 --- /dev/null +++ b/QM9_tddft/raw/00938.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d28a8b3711e68c9fada71af0cb3e8e0d786a19dd3c71be32a0bd283f8318b5b +size 3901970 diff --git a/QM9_tddft/raw/00949.pt b/QM9_tddft/raw/00949.pt new file mode 100644 index 0000000000000000000000000000000000000000..a69f7b728c3041a6daddbc4cdb63f93c9ca2e48a --- /dev/null +++ b/QM9_tddft/raw/00949.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2ef7e13395e240158525d9efd598b196effdcc5b253f39a3b261f978b5eed31f +size 3853074 diff --git a/QM9_tddft/raw/00963.pt b/QM9_tddft/raw/00963.pt new file mode 100644 index 0000000000000000000000000000000000000000..c7e338e2f7ab8a48d87ad428c63ea15e484a5fc5 --- /dev/null +++ b/QM9_tddft/raw/00963.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d10be607601b61d262a14c26094b2dbc5e678f758ef52c7ed8d23bd0846e57c8 +size 4942866 diff --git a/QM9_tddft/raw/00978.pt b/QM9_tddft/raw/00978.pt new file mode 100644 index 0000000000000000000000000000000000000000..eaeda8de6ea9a5176359057faf47d55796c71054 --- /dev/null +++ b/QM9_tddft/raw/00978.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f560b43eb7361162191e7fd7cf5b4159adb488d34f5620a7eb779d4ceed0d40b +size 4156050 diff --git a/QM9_tddft/raw/00982.pt b/QM9_tddft/raw/00982.pt new file mode 100644 index 0000000000000000000000000000000000000000..2638ae9252ebd254700bf5f3a236af5c648c6134 --- /dev/null +++ b/QM9_tddft/raw/00982.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:680f2fd6f724d7a88f6f6f3a23dfc306d3bf76af45053c61a7bb8a0457652c7c +size 4684370 diff --git a/QM9_tddft/raw/00983.pt b/QM9_tddft/raw/00983.pt new file mode 100644 index 0000000000000000000000000000000000000000..7c3f5b6d92c8c3f4f0705f1fee114d2c9a623ee3 --- /dev/null +++ b/QM9_tddft/raw/00983.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e1da0acd396b1489ec622f29d8e1f7a6c0243551c9db5f64cf5388a8b1a016d +size 4526098 diff --git a/QM9_tddft/raw/00986.pt b/QM9_tddft/raw/00986.pt new file mode 100644 index 0000000000000000000000000000000000000000..1e4cc86f25372a910dbe80d26275ce21d4adb0dc --- /dev/null +++ b/QM9_tddft/raw/00986.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d54af289fef9777a73e3586e81fdfa4a022f76c22c754a69aa45298acc8cfdf6 +size 4942866 diff --git a/QM9_tddft/raw/00990.pt b/QM9_tddft/raw/00990.pt new file mode 100644 index 0000000000000000000000000000000000000000..c46ad6ae371d43e5b851bc9413094e79c170535a --- /dev/null +++ b/QM9_tddft/raw/00990.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:24fc018a6d1138753364f29ec2ac366abc1d17a22a9ff4488d727887d0de82b8 +size 5140242 diff --git a/QM9_tddft/raw/00995.pt b/QM9_tddft/raw/00995.pt new file mode 100644 index 0000000000000000000000000000000000000000..45acc6446a46a3124a54c7c51434a170856861c2 --- /dev/null +++ b/QM9_tddft/raw/00995.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19146146f0e25c0f3af13ad3f4ec7bf37f3f65114d830a484f39888a06cd76f4 +size 5109778 diff --git a/QM9_tddft/raw/01002.pt b/QM9_tddft/raw/01002.pt new file mode 100644 index 0000000000000000000000000000000000000000..4de38803d8fe827a1d57e8ac4bd2b5b4ff1b8b53 --- /dev/null +++ b/QM9_tddft/raw/01002.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0bd8225e7839965df8306ff74b3300b7d5f07f35ee666250658886ed926583b4 +size 5304594 diff --git a/QM9_tddft/raw/01012.pt b/QM9_tddft/raw/01012.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c84895297e56e58c322c59fa31e7a3136932e33 --- /dev/null +++ b/QM9_tddft/raw/01012.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cbc6ef9011c478d5f136f7104ee0aea15d414472db191592ced5b8f8380284ff +size 3748050 diff --git a/QM9_tddft/raw/01019.pt b/QM9_tddft/raw/01019.pt new file mode 100644 index 0000000000000000000000000000000000000000..f60b0bffd06f12627a5f54752457ac6d82ef05c3 --- /dev/null +++ b/QM9_tddft/raw/01019.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0070826ed6ef73d6e1e05a0b0ee409e7e9c01d91775e1f6114bed03706aaa2a +size 4368978 diff --git a/QM9_tddft/raw/01027.pt b/QM9_tddft/raw/01027.pt new file mode 100644 index 0000000000000000000000000000000000000000..c3abbd73276b51297732841a5409e7500122745c --- /dev/null +++ b/QM9_tddft/raw/01027.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02e8fc1df5a56ee753329181ce09d518f844354c4e478447fe79b7cff6935075 +size 4976530 diff --git a/QM9_tddft/raw/01034.pt b/QM9_tddft/raw/01034.pt new file mode 100644 index 0000000000000000000000000000000000000000..f73b208d744c31a2238e4a387775598096ffc6e8 --- /dev/null +++ b/QM9_tddft/raw/01034.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:470f7b9d224b30eae5000fae50a4b8747bfd8fbf65503ce6241f2ce33bb4b700 +size 4942866 diff --git a/QM9_tddft/raw/01035.pt b/QM9_tddft/raw/01035.pt new file mode 100644 index 0000000000000000000000000000000000000000..ae381e9cc3096f57345687ab644d460a6ad2dfe5 --- /dev/null +++ b/QM9_tddft/raw/01035.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82f473f7e7e746a607714b37c257dc5e5d096300ed7dbbadf2cc9bb4de92f476 +size 5760850 diff --git a/QM9_tddft/raw/01038.pt b/QM9_tddft/raw/01038.pt new file mode 100644 index 0000000000000000000000000000000000000000..365a9649ab233b8fa8d95272158b66bd91655cdc --- /dev/null +++ b/QM9_tddft/raw/01038.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e136e355797b013fad709c1795fc0e85f8935f9e6942fba41b7c715788529746 +size 4813650 diff --git a/QM9_tddft/raw/01045.pt b/QM9_tddft/raw/01045.pt new file mode 100644 index 0000000000000000000000000000000000000000..d067d1d8449b833231fa6a6a6161260d0c93a280 --- /dev/null +++ b/QM9_tddft/raw/01045.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f161f8a8e43837fdf4b206c5e2d05631c80d087070488855e16025b9194f3c6 +size 4186322 diff --git a/QM9_tddft/raw/01050.pt b/QM9_tddft/raw/01050.pt new file mode 100644 index 0000000000000000000000000000000000000000..fd1a9edac2f534411b8f8f6726e34dfb988ebcd3 --- /dev/null +++ b/QM9_tddft/raw/01050.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d28ebea5b80005362a07756362c69e58b0f3a755ad38fd75da244c3f559a2c4 +size 5760850 diff --git a/QM9_tddft/raw/01053.pt b/QM9_tddft/raw/01053.pt new file mode 100644 index 0000000000000000000000000000000000000000..21e588d42343061b8cb126e0ed5ca87a422bb00c --- /dev/null +++ b/QM9_tddft/raw/01053.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ade18deacd20fd319d937921b51b586095e6aa318e33d738f65f6346929af9e9 +size 4684370 diff --git a/QM9_tddft/raw/01056.pt b/QM9_tddft/raw/01056.pt new file mode 100644 index 0000000000000000000000000000000000000000..d49de50524e29c475de6b4c4cfdea0b16f6ed342 --- /dev/null +++ b/QM9_tddft/raw/01056.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4a84afe7dc0446e61c8559734051385ac99badfed1d2c39cb81dfc21d0ceb6d +size 6785490 diff --git a/QM9_tddft/raw/01061.pt b/QM9_tddft/raw/01061.pt new file mode 100644 index 0000000000000000000000000000000000000000..8edfa492b25147747b8c25dd5c0f8512ff14f7ba --- /dev/null +++ b/QM9_tddft/raw/01061.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed7fa23d7ef84060b9d1153e8740e24ea06761a4194e12520ada497d098e4004 +size 4490130 diff --git a/QM9_tddft/raw/01062.pt b/QM9_tddft/raw/01062.pt new file mode 100644 index 0000000000000000000000000000000000000000..d2aff2ee8ebc303cbc9ab1677b17e06996149757 --- /dev/null +++ b/QM9_tddft/raw/01062.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3af2f80e7747dfbd94372d0bec23ad14a8e3d6df53938e02462c5e11d1f57b00 +size 5956498 diff --git a/QM9_tddft/raw/01064.pt b/QM9_tddft/raw/01064.pt new file mode 100644 index 0000000000000000000000000000000000000000..1aea8f4fefc525234ba74b22677c638b389fbdf6 --- /dev/null +++ b/QM9_tddft/raw/01064.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe066f4c1cd6afc0e82e18d2eb470b16ddafabebab6917547d3f7df039542a20 +size 5140242 diff --git a/QM9_tddft/raw/01076.pt b/QM9_tddft/raw/01076.pt new file mode 100644 index 0000000000000000000000000000000000000000..fa9eec849b2967806497e3385e9862e618ff54da --- /dev/null +++ b/QM9_tddft/raw/01076.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5304af7dafc41fc795e41863c674d2864170b8c4a7f04b4b873fdb2f0a793a9 +size 4976530 diff --git a/QM9_tddft/raw/01081.pt b/QM9_tddft/raw/01081.pt new file mode 100644 index 0000000000000000000000000000000000000000..504d24ee65a09307897315796e4f9369316651ce --- /dev/null +++ b/QM9_tddft/raw/01081.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7f66436d6c8593d64e5da5a867af3a652d5e697b92b33786384c7102bdec4eb +size 5277586 diff --git a/QM9_tddft/raw/01083.pt b/QM9_tddft/raw/01083.pt new file mode 100644 index 0000000000000000000000000000000000000000..9a9bc3cb0f9414d35b5b46395942d8be6c5b973f --- /dev/null +++ b/QM9_tddft/raw/01083.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e40b1f10305fb3627d3ea80e129fab96f320e5f7c1bea49e175fbc70058d63ce +size 4776530 diff --git a/QM9_tddft/raw/01089.pt b/QM9_tddft/raw/01089.pt new file mode 100644 index 0000000000000000000000000000000000000000..5649a1a89c05d5da495e8822f36a4335a1183d0b --- /dev/null +++ b/QM9_tddft/raw/01089.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74ed934209d75e511f0ff278e1b6f3d08e03c593c708651becf92da9be49005e +size 5906386 diff --git a/QM9_tddft/raw/01093.pt b/QM9_tddft/raw/01093.pt new file mode 100644 index 0000000000000000000000000000000000000000..62eb666a2c316a72b1add6570491187436c6b08d --- /dev/null +++ b/QM9_tddft/raw/01093.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3578942bf976a01a082cf43b52545a7668d1b6cc5a70cfab450d59e79c772feb +size 6109970 diff --git a/QM9_tddft/raw/01103.pt b/QM9_tddft/raw/01103.pt new file mode 100644 index 0000000000000000000000000000000000000000..0f925b47dc7d1806aa1167222f02633bc53a5621 --- /dev/null +++ b/QM9_tddft/raw/01103.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f30e78be02de5447da8c7d8622dfa85ba99e483da186280c70b637c39022392c +size 4526098 diff --git a/QM9_tddft/raw/01123.pt b/QM9_tddft/raw/01123.pt new file mode 100644 index 0000000000000000000000000000000000000000..ce89bdf13d6bdbc4c7d17cb62254eec6add95f14 --- /dev/null +++ b/QM9_tddft/raw/01123.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba6d36069a7a465e4f9b8714fe2986070a53720b0d3a471e77d4ddfc721fc4cb +size 5445970 diff --git a/QM9_tddft/raw/01140.pt b/QM9_tddft/raw/01140.pt new file mode 100644 index 0000000000000000000000000000000000000000..fd6a721289c6af424bcd63bd84fc7fb82d7e7158 --- /dev/null +++ b/QM9_tddft/raw/01140.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0abf5d5386d798ad4bb9b70ba72c9eb7feae0912ad42f7843bbbaba4356ef68d +size 4813650 diff --git a/QM9_tddft/raw/01155.pt b/QM9_tddft/raw/01155.pt new file mode 100644 index 0000000000000000000000000000000000000000..17b4be64f56fb66def1f8a12136e9423e746d609 --- /dev/null +++ b/QM9_tddft/raw/01155.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbb4d66f63ba16943c26dec0ee631b73bdc68372986b05a30f17e2afeee6f4e2 +size 5760850 diff --git a/QM9_tddft/raw/01157.pt b/QM9_tddft/raw/01157.pt new file mode 100644 index 0000000000000000000000000000000000000000..7d1e824a59fa461ebee64587460c86d9d2ee5302 --- /dev/null +++ b/QM9_tddft/raw/01157.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52b32a8617ec548d445c8c0e0b7ac6c9242880e01895fa15ac1c317373208149 +size 3889618 diff --git a/QM9_tddft/raw/01163.pt b/QM9_tddft/raw/01163.pt new file mode 100644 index 0000000000000000000000000000000000000000..c384fb8bd0b9bd4183117daaaef51f157272af61 --- /dev/null +++ b/QM9_tddft/raw/01163.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ad4f999d903ac04ff87d9f8b121fec0c7ca793c3352408ead6e8ff223fe024a +size 5277586 diff --git a/QM9_tddft/raw/01173.pt b/QM9_tddft/raw/01173.pt new file mode 100644 index 0000000000000000000000000000000000000000..438f2c5e79f95b6fa4dbf304ae0d5dc23411c239 --- /dev/null +++ b/QM9_tddft/raw/01173.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a534d875e348d1ab3514c2503b950f1d1c76e7dc7ae65c7dc5a38a3c86ce509 +size 5906386 diff --git a/QM9_tddft/raw/01175.pt b/QM9_tddft/raw/01175.pt new file mode 100644 index 0000000000000000000000000000000000000000..77bc54483fdc43f18b35560b852460316be5bbdc --- /dev/null +++ b/QM9_tddft/raw/01175.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b879d639014a95221d5fa8ef9e6876eec9d202712c19a9418ef6bf5efcd7cd +size 4651346 diff --git a/QM9_tddft/raw/01182.pt b/QM9_tddft/raw/01182.pt new file mode 100644 index 0000000000000000000000000000000000000000..a6d4e520b55a9bda6dab887c00109126348beb4a --- /dev/null +++ b/QM9_tddft/raw/01182.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:048824b386b849d62a34db5fb22bca41bd8620e0ccb890da81318c041f9280d7 +size 3801170 diff --git a/QM9_tddft/raw/01188.pt b/QM9_tddft/raw/01188.pt new file mode 100644 index 0000000000000000000000000000000000000000..107e7f4e73ea490f9ab4818b57b19b29db77f7ff --- /dev/null +++ b/QM9_tddft/raw/01188.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:caa24b59df9b81ebaa4e2ff58a61be3904de54ec1d04053c34255348c9f46295 +size 5277586 diff --git a/QM9_tddft/raw/01190.pt b/QM9_tddft/raw/01190.pt new file mode 100644 index 0000000000000000000000000000000000000000..1331889609f72ea73a517677ef27401526845447 --- /dev/null +++ b/QM9_tddft/raw/01190.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3135bb965a336829ef04ed5a0b38d0bc748bbcfcc3668a4ceb22a30d7a66de11 +size 5760850 diff --git a/QM9_tddft/raw/01191.pt b/QM9_tddft/raw/01191.pt new file mode 100644 index 0000000000000000000000000000000000000000..59329c251aae0b1f5dc9cb5682812bdd2fe1bceb --- /dev/null +++ b/QM9_tddft/raw/01191.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19fb102957950a2b22595eb39b7534b7777e4705e326ef0e9813d83c542ace0d +size 4813650 diff --git a/QM9_tddft/raw/01213.pt b/QM9_tddft/raw/01213.pt new file mode 100644 index 0000000000000000000000000000000000000000..2bb871259f7626594abda7748bda2a703cd30e3c --- /dev/null +++ b/QM9_tddft/raw/01213.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5e8867ef7c82b1507c74d40cdc4cb5d6bb775c66c5eed4cdf25b8f3b3aa3884 +size 5760850 diff --git a/QM9_tddft/raw/01219.pt b/QM9_tddft/raw/01219.pt new file mode 100644 index 0000000000000000000000000000000000000000..3d3fdafae11e6fd762eb4daae3e697495ff1a30c --- /dev/null +++ b/QM9_tddft/raw/01219.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0fdc56f103c0bb6c6df268b819b0349d15cb85dbd22958f3d203ea28b8689c60 +size 5277586 diff --git a/QM9_tddft/raw/01220.pt b/QM9_tddft/raw/01220.pt new file mode 100644 index 0000000000000000000000000000000000000000..276de31d210b6784be3abca779113b1ce44ad3a1 --- /dev/null +++ b/QM9_tddft/raw/01220.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6844cb0cf209ac4e4b4bc023fb0f099ff0e16193a63cf8bdc2ed63c66ff47fee +size 5615442 diff --git a/QM9_tddft/raw/01224.pt b/QM9_tddft/raw/01224.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2f35d0720d08c1e5055d4a18ed660f1eec911f4 --- /dev/null +++ b/QM9_tddft/raw/01224.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d254d5c2a26aa01cfcc2c37eb8203aafc9b2a8088f3d2e7cba65b18820149a8c +size 4589458 diff --git a/QM9_tddft/raw/01238.pt b/QM9_tddft/raw/01238.pt new file mode 100644 index 0000000000000000000000000000000000000000..a5206156bcf8cbd81b772a23890972335891ff08 --- /dev/null +++ b/QM9_tddft/raw/01238.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:884e0008a98d421129ce71013b66c24754982a66387dfeb66b2220883aaad1ed +size 5140242 diff --git a/QM9_tddft/raw/01244.pt b/QM9_tddft/raw/01244.pt new file mode 100644 index 0000000000000000000000000000000000000000..076fc61e7ded6f709045f76383f48ee1edea0296 --- /dev/null +++ b/QM9_tddft/raw/01244.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e6b38027663c91ee3a41c72c437a79569651b86cd14a443b19667eff2af57e0 +size 5277586 diff --git a/QM9_tddft/raw/01248.pt b/QM9_tddft/raw/01248.pt new file mode 100644 index 0000000000000000000000000000000000000000..9d4d637af7dc35bf3cad3728da82c93c16205f68 --- /dev/null +++ b/QM9_tddft/raw/01248.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04f84bd3cb44c9e5048c85fd19b2327ab40c733c4ebcf7b12f2bec5348b179c0 +size 5445970 diff --git a/QM9_tddft/raw/01249.pt b/QM9_tddft/raw/01249.pt new file mode 100644 index 0000000000000000000000000000000000000000..d193192372ff802d3e199d69e06ec0a352bc9b98 --- /dev/null +++ b/QM9_tddft/raw/01249.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b14dbb5926e6c85553c441cc21f3e98f5aabe7a83706dbaf24229913460dec12 +size 4651346 diff --git a/QM9_tddft/raw/01250.pt b/QM9_tddft/raw/01250.pt new file mode 100644 index 0000000000000000000000000000000000000000..61e5eb8af9cf042bdd613c34959cfdfcfdcdf1b7 --- /dev/null +++ b/QM9_tddft/raw/01250.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7572b33ad6b61f29819b1c544e0ae7d4da1d88622043825fa6489eb5a011aa5 +size 5470034 diff --git a/QM9_tddft/raw/01261.pt b/QM9_tddft/raw/01261.pt new file mode 100644 index 0000000000000000000000000000000000000000..2a17dbdf37ae1cbebedc4d671d916711854579e5 --- /dev/null +++ b/QM9_tddft/raw/01261.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a11f589057db4dacf12f44db7549b580dd72a0511b1f1b2855f126cc87931169 +size 4813650 diff --git a/QM9_tddft/raw/01268.pt b/QM9_tddft/raw/01268.pt new file mode 100644 index 0000000000000000000000000000000000000000..89e64ccafcda508261b565c985ccb7ffe7649447 --- /dev/null +++ b/QM9_tddft/raw/01268.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7fd2e246bb884b7d95bba407d2fb24ce4789691b99ae2b4b74b509b66de36333 +size 4589458 diff --git a/QM9_tddft/raw/01269.pt b/QM9_tddft/raw/01269.pt new file mode 100644 index 0000000000000000000000000000000000000000..d9c57dd268ccd5ce13ce05c6301267c20820f890 --- /dev/null +++ b/QM9_tddft/raw/01269.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e1933b6219e12cfae9f8d11532377b53fd13236b71f945a637f864a297fcd23 +size 4651346 diff --git a/QM9_tddft/raw/01272.pt b/QM9_tddft/raw/01272.pt new file mode 100644 index 0000000000000000000000000000000000000000..a3af80a43d2083e67f9ef6d29cf083437a45b269 --- /dev/null +++ b/QM9_tddft/raw/01272.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9cae808d051a2e1c773c717b7ac6c18d2e70501394026feb67a17561ff0c911f +size 4526098 diff --git a/QM9_tddft/raw/01274.pt b/QM9_tddft/raw/01274.pt new file mode 100644 index 0000000000000000000000000000000000000000..2245d16d9793d4c242f78da775bf6b35b67b1d29 --- /dev/null +++ b/QM9_tddft/raw/01274.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6640e14f27d4a787491cb1bd93fa627c3d7b74470cde139fafa70928e7e4f8e +size 4651346 diff --git a/QM9_tddft/raw/01283.pt b/QM9_tddft/raw/01283.pt new file mode 100644 index 0000000000000000000000000000000000000000..b11cedb983b93912153fb8570d43bd7329ae7475 --- /dev/null +++ b/QM9_tddft/raw/01283.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:65ffebd0e4ff41fa408f9edfc0b47d7b4257b46fa94bb3e0898270267b4ed30e +size 4329682 diff --git a/QM9_tddft/raw/01287.pt b/QM9_tddft/raw/01287.pt new file mode 100644 index 0000000000000000000000000000000000000000..af48e302ffbe453de1931c2b070a8cdca747b9bb --- /dev/null +++ b/QM9_tddft/raw/01287.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9ddf459b923a42e7a9ea51218988b841fbd2a5ea4dba1a95a86f5b8010f19fc +size 5109778 diff --git a/QM9_tddft/raw/01296.pt b/QM9_tddft/raw/01296.pt new file mode 100644 index 0000000000000000000000000000000000000000..ab2cdd5b191ce15aed0572dd055696817f0fa26a --- /dev/null +++ b/QM9_tddft/raw/01296.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d169a275debe72ae92f75463d83a68acf431330655df315593d865b237394210 +size 4813650 diff --git a/QM9_tddft/raw/01302.pt b/QM9_tddft/raw/01302.pt new file mode 100644 index 0000000000000000000000000000000000000000..d611e7a5f6d19523c4115179768ea1a6be425335 --- /dev/null +++ b/QM9_tddft/raw/01302.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9842c0178a8b208c6d3486973e7e6a21948299a89bc4583e5cca8e59404aec0d +size 4446802 diff --git a/QM9_tddft/raw/01303.pt b/QM9_tddft/raw/01303.pt new file mode 100644 index 0000000000000000000000000000000000000000..f8d71034b13c5abe88d22f75e3643bd91e50580c --- /dev/null +++ b/QM9_tddft/raw/01303.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1206d60a0957c84f19f7ac4fc2f9fe4d876915f31576d9f49015da5d0367fba6 +size 4684370 diff --git a/QM9_tddft/raw/01305.pt b/QM9_tddft/raw/01305.pt new file mode 100644 index 0000000000000000000000000000000000000000..0a839f1a8f04a82573165e518f5c26c063c55957 --- /dev/null +++ b/QM9_tddft/raw/01305.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd17796b8b6f8ae40bcdd34dc3411409e2272acc754a436cb187eeac516d3eac +size 4329682 diff --git a/QM9_tddft/raw/01306.pt b/QM9_tddft/raw/01306.pt new file mode 100644 index 0000000000000000000000000000000000000000..d88dfeaf3ef0b5141c4143111d3868a4962c2ecd --- /dev/null +++ b/QM9_tddft/raw/01306.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:61a1bb5e004e2418d2f45e157fcf99df2b49ca298774458ab47d6a6d93b76ea3 +size 4976530 diff --git a/QM9_tddft/raw/01307.pt b/QM9_tddft/raw/01307.pt new file mode 100644 index 0000000000000000000000000000000000000000..54e95a5b1c6253e649b3a84eb635e1303aa72125 --- /dev/null +++ b/QM9_tddft/raw/01307.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b9ab84e5b657849328fbb0b2227f8a404881dfc86e9175226ca5e9eed673b2f +size 5277586 diff --git a/QM9_tddft/raw/01320.pt b/QM9_tddft/raw/01320.pt new file mode 100644 index 0000000000000000000000000000000000000000..f22d9947ac9b6d048b9511935952903dd77b7bcd --- /dev/null +++ b/QM9_tddft/raw/01320.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11c332ab3d8d9a8dca215e453f2d3282e566316721b4f047bd937915904776f9 +size 5587346 diff --git a/QM9_tddft/raw/01326.pt b/QM9_tddft/raw/01326.pt new file mode 100644 index 0000000000000000000000000000000000000000..cb4c9de02c730c4f231e0badf746dddc5abeecb0 --- /dev/null +++ b/QM9_tddft/raw/01326.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:910fd6de7d58f8715f1deadb8bc4274416ae7bf2cadc7a1dfac6fdf688265c9b +size 4813650 diff --git a/QM9_tddft/raw/01337.pt b/QM9_tddft/raw/01337.pt new file mode 100644 index 0000000000000000000000000000000000000000..8004d146eb731d7f40602d060b11169d6e029ca6 --- /dev/null +++ b/QM9_tddft/raw/01337.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54998726c6a647ed23bdda9ed85d83656182eba5f9aebc5db59c58b2e1d1197f +size 4813650 diff --git a/QM9_tddft/raw/01341.pt b/QM9_tddft/raw/01341.pt new file mode 100644 index 0000000000000000000000000000000000000000..619d379910cba2a822e6a63eb33d83f6ec5005a1 --- /dev/null +++ b/QM9_tddft/raw/01341.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba8117a0095233205eebc946b1826b4689add792a488db70fe721417ec32d8fa +size 6443282 diff --git a/QM9_tddft/raw/01342.pt b/QM9_tddft/raw/01342.pt new file mode 100644 index 0000000000000000000000000000000000000000..43684affd42799ee1aef18a105d685c3026a84c4 --- /dev/null +++ b/QM9_tddft/raw/01342.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1920692bf603eee7e8fd367060133277fc6d3c9720a525251df81371cbed9e7a +size 4651346 diff --git a/QM9_tddft/raw/01343.pt b/QM9_tddft/raw/01343.pt new file mode 100644 index 0000000000000000000000000000000000000000..4a1547ba41a74ae6f3b587d9236fd173fdaa4716 --- /dev/null +++ b/QM9_tddft/raw/01343.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:44d06bc8afc36d809c69123ac3eaea770058d76b900ffd9daab4c68a33dedab9 +size 4526098 diff --git a/QM9_tddft/raw/01350.pt b/QM9_tddft/raw/01350.pt new file mode 100644 index 0000000000000000000000000000000000000000..f2bd31f2fe6a5188e2d5277f4b9e0793c017d388 --- /dev/null +++ b/QM9_tddft/raw/01350.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e69efe9e041ce192a27c946e5fa3d8ef703820ff1a1421a33c9985421715ff6 +size 4329682 diff --git a/QM9_tddft/raw/01358.pt b/QM9_tddft/raw/01358.pt new file mode 100644 index 0000000000000000000000000000000000000000..4fb05d6f6a7fc76529ef3ccae9f88ba5822bca21 --- /dev/null +++ b/QM9_tddft/raw/01358.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9a52067fb3e655814ce3f1eb792718296ca7a4ab536a69cec077ac90e2703e4 +size 4942866 diff --git a/QM9_tddft/raw/01362.pt b/QM9_tddft/raw/01362.pt new file mode 100644 index 0000000000000000000000000000000000000000..f551547a0539e840504babd24afbf32f3ff4ae1a --- /dev/null +++ b/QM9_tddft/raw/01362.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c85512891ae4992a2d199773a9358db0cda89bd8a9128a403c6d501e7ffff624 +size 5445970 diff --git a/QM9_tddft/raw/01371.pt b/QM9_tddft/raw/01371.pt new file mode 100644 index 0000000000000000000000000000000000000000..ecc4bfae11b8e03aa71500fca7951402d4c63f2b --- /dev/null +++ b/QM9_tddft/raw/01371.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d23ebf2303dd3ba22de33aa849fdfcc0059c5e7e2bd2c2b808b7b6a24c71a44 +size 5615442 diff --git a/QM9_tddft/raw/01381.pt b/QM9_tddft/raw/01381.pt new file mode 100644 index 0000000000000000000000000000000000000000..3b6f8e64851b1830dc636f882bb2670461c696c4 --- /dev/null +++ b/QM9_tddft/raw/01381.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f8eb68363dc8edb17ced740fb6a4dd5b0d456fe24dc817b1391c9ddaaf61db80 +size 6109970 diff --git a/QM9_tddft/raw/01383.pt b/QM9_tddft/raw/01383.pt new file mode 100644 index 0000000000000000000000000000000000000000..c2c2fcdba70cc8b698a0f40a4a2f4ba3de596efa --- /dev/null +++ b/QM9_tddft/raw/01383.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22948ca85a5632f3af618182e1a249d0d141e59ba3cd640cbd2e2191515b7bfa +size 5140242 diff --git a/QM9_tddft/raw/01385.pt b/QM9_tddft/raw/01385.pt new file mode 100644 index 0000000000000000000000000000000000000000..0b0469929393afa5226f4989cf7a0eb2589f9cd1 --- /dev/null +++ b/QM9_tddft/raw/01385.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:474e143128f8a5805f2f523f10cb4214a2c51f7a836c8bbba86d962ba04a6d2f +size 3742546 diff --git a/QM9_tddft/raw/01391.pt b/QM9_tddft/raw/01391.pt new file mode 100644 index 0000000000000000000000000000000000000000..c024d8e42ccb27a0b7dc18bb49640d251c913997 --- /dev/null +++ b/QM9_tddft/raw/01391.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:200b8b3607fa07e4c590b3f7aa6f7a7e2642a7ee0059128e70696f7d227da8a0 +size 4651346 diff --git a/QM9_tddft/raw/01396.pt b/QM9_tddft/raw/01396.pt new file mode 100644 index 0000000000000000000000000000000000000000..f73dbb06e83a96eaa256881b745c0bf03fd2f8f0 --- /dev/null +++ b/QM9_tddft/raw/01396.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3c7302c3cd093b3467833db007f481856199b7983f6efbb4381d5526431830c +size 5277586 diff --git a/QM9_tddft/raw/01397.pt b/QM9_tddft/raw/01397.pt new file mode 100644 index 0000000000000000000000000000000000000000..3a0549492dc6a916886111bbaaf7649c82ffa3e9 --- /dev/null +++ b/QM9_tddft/raw/01397.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6df0adc93761645080df90218a4bcbc56f88468bea0cb614cf06d215567f40c2 +size 5760850 diff --git a/QM9_tddft/raw/01402.pt b/QM9_tddft/raw/01402.pt new file mode 100644 index 0000000000000000000000000000000000000000..05ed9f05ec4080c46ff9ed38221179e774340152 --- /dev/null +++ b/QM9_tddft/raw/01402.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d945cac1930b478e5b022d4c3f3a8d4bfd0900f80cb59c0ffa3b10c07128680a +size 5445970 diff --git a/QM9_tddft/raw/01404.pt b/QM9_tddft/raw/01404.pt new file mode 100644 index 0000000000000000000000000000000000000000..d2e84ef85841a592b35637ec7e5e8c60d9a0afe3 --- /dev/null +++ b/QM9_tddft/raw/01404.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5001e946806dc0db2b0761c61be6f9484a44bf2faae5f93e031c1bf03bdcf691 +size 5277586 diff --git a/QM9_tddft/raw/01408.pt b/QM9_tddft/raw/01408.pt new file mode 100644 index 0000000000000000000000000000000000000000..d96d9910fe02a5871fd7539e2c6111021def9b37 --- /dev/null +++ b/QM9_tddft/raw/01408.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c764693cab025e0d6a596e42e2d01cc71bcb018b8d69616bdb4e34e64df605f5 +size 4843218 diff --git a/QM9_tddft/raw/01417.pt b/QM9_tddft/raw/01417.pt new file mode 100644 index 0000000000000000000000000000000000000000..8caf4053a770e542e70361bb29e182629462986a --- /dev/null +++ b/QM9_tddft/raw/01417.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56e4130b2c41346981116e172352e4f944653bf27aca6824ad5d664a4b22dec0 +size 4274898 diff --git a/QM9_tddft/raw/01426.pt b/QM9_tddft/raw/01426.pt new file mode 100644 index 0000000000000000000000000000000000000000..8f4c5e5170942bb161176021e829cf9bc7f8c10c --- /dev/null +++ b/QM9_tddft/raw/01426.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02f521eddb85ac948727fcc8f8f06ee1d70733fb7796bbe15b99436aba3b7df8 +size 4976530 diff --git a/QM9_tddft/raw/01440.pt b/QM9_tddft/raw/01440.pt new file mode 100644 index 0000000000000000000000000000000000000000..f102f9f3b1a2fcaee96ad195b2f40c18741b60ab --- /dev/null +++ b/QM9_tddft/raw/01440.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:066468ff79f5ee4669ff0fa04ae3da9733932b2e721ab33fa3094a5392f27438 +size 5277586 diff --git a/QM9_tddft/raw/01441.pt b/QM9_tddft/raw/01441.pt new file mode 100644 index 0000000000000000000000000000000000000000..604e253456ac2a351892a1ddddbf53a0cc3acc1b --- /dev/null +++ b/QM9_tddft/raw/01441.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da24636efe20487577c96f0090ab2324f6c380fa776b2e7a2ebb084570fb9212 +size 5304594 diff --git a/QM9_tddft/raw/01442.pt b/QM9_tddft/raw/01442.pt new file mode 100644 index 0000000000000000000000000000000000000000..511a15da47dcb5b1b6357c590f131045f1b46df8 --- /dev/null +++ b/QM9_tddft/raw/01442.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b9a25c089f608b72175915d686d55ce29a0c1ff91ccd82ebcf092ba5d713d2d +size 5109778 diff --git a/QM9_tddft/raw/01443.pt b/QM9_tddft/raw/01443.pt new file mode 100644 index 0000000000000000000000000000000000000000..dc53f19a59f127e80264625e28df498eca4d5fb7 --- /dev/null +++ b/QM9_tddft/raw/01443.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43ebd8821fcbc4f4f38772a6752fae8909c582a43c4b03daedcc3109e3c330e2 +size 5277586 diff --git a/QM9_tddft/raw/01445.pt b/QM9_tddft/raw/01445.pt new file mode 100644 index 0000000000000000000000000000000000000000..350da3aac48a5d648c3f00a7ad59089dcbbba8da --- /dev/null +++ b/QM9_tddft/raw/01445.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3024666a5db50a0dd3f981140ad5a3d4b31b2f689370f8f31be41b887acf7a53 +size 5277586 diff --git a/QM9_tddft/raw/01450.pt b/QM9_tddft/raw/01450.pt new file mode 100644 index 0000000000000000000000000000000000000000..0a0451973e5078eb6280fece42e374e78950d5c4 --- /dev/null +++ b/QM9_tddft/raw/01450.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c24f45becfcfa79da538b0fe767501a13f109f5e43c2cc2bc933bfb2321a3ae +size 5414930 diff --git a/QM9_tddft/raw/01455.pt b/QM9_tddft/raw/01455.pt new file mode 100644 index 0000000000000000000000000000000000000000..577e678eb675d7c423f3582b44db7c22d624b69a --- /dev/null +++ b/QM9_tddft/raw/01455.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00a3937f6c01ec2fa69223c9c6778f14bc20023d57f35ebbf70f070af9cb8efd +size 4329682 diff --git a/QM9_tddft/raw/01457.pt b/QM9_tddft/raw/01457.pt new file mode 100644 index 0000000000000000000000000000000000000000..7fbb23905e2a0a56d64b8c29ba83ff7ead8263e8 --- /dev/null +++ b/QM9_tddft/raw/01457.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bba8565ef62dd8a365b5e7dbf7ae4d48f9717fd4dcdcc754f66e7cb8f7eb5047 +size 4813650 diff --git a/QM9_tddft/raw/01463.pt b/QM9_tddft/raw/01463.pt new file mode 100644 index 0000000000000000000000000000000000000000..3ddec0f239764b187bdfd5a33d054161f5a57c02 --- /dev/null +++ b/QM9_tddft/raw/01463.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:16f561d9d9a36aac2abd61c43bdda9d11f8f37672b1c10798836fc4268a6c979 +size 4776530 diff --git a/QM9_tddft/raw/01465.pt b/QM9_tddft/raw/01465.pt new file mode 100644 index 0000000000000000000000000000000000000000..15dbe9981b09a91cf34091628364c4c45079cf99 --- /dev/null +++ b/QM9_tddft/raw/01465.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b530fb6c611e8434c0968b1a637efc268fdaa657b7765ea2cc8ab461fe313afe +size 3853074 diff --git a/QM9_tddft/raw/01466.pt b/QM9_tddft/raw/01466.pt new file mode 100644 index 0000000000000000000000000000000000000000..27473248731439cbdabfa9bd6d4ed817e69df1a8 --- /dev/null +++ b/QM9_tddft/raw/01466.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:caf0bdb3d777ecb014424c239446d9ba83a3d9612cdb2b64a9b861a73165debf +size 4651346 diff --git a/QM9_tddft/raw/01481.pt b/QM9_tddft/raw/01481.pt new file mode 100644 index 0000000000000000000000000000000000000000..7383ff9edbbd6d96ad53e229266a2c9a4a8e74b3 --- /dev/null +++ b/QM9_tddft/raw/01481.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5caf8a4a9d5129b5a7d28a58bbd9e8b8a2e8ea9efceadf21af6ebdfe0dc3e6ea +size 5109778 diff --git a/QM9_tddft/raw/01487.pt b/QM9_tddft/raw/01487.pt new file mode 100644 index 0000000000000000000000000000000000000000..aca98ce42711d19cb19166277a27f7e76805f8c2 --- /dev/null +++ b/QM9_tddft/raw/01487.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11dfd4a5c051ceb4b83181c91b2e9f3a0c282b977d8551fd719deaf89d2476cf +size 4976530 diff --git a/QM9_tddft/raw/01488.pt b/QM9_tddft/raw/01488.pt new file mode 100644 index 0000000000000000000000000000000000000000..c1c63f6ebaae7539342ec46a5d362e99bb00eb5e --- /dev/null +++ b/QM9_tddft/raw/01488.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7615a9385730e7a996b247f7c8790c4f669bb4c9a891096ae620bf8358cf6b9 +size 4490130 diff --git a/QM9_tddft/raw/01490.pt b/QM9_tddft/raw/01490.pt new file mode 100644 index 0000000000000000000000000000000000000000..c806e9129f7c69793d760f37428a8064db27a093 --- /dev/null +++ b/QM9_tddft/raw/01490.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:869d02f407b4cf6c1a967afd410400d2c90f72c10743e654926e81bd402cf6ef +size 5934994 diff --git a/QM9_tddft/raw/01491.pt b/QM9_tddft/raw/01491.pt new file mode 100644 index 0000000000000000000000000000000000000000..51968a102b5e304792f441a86a8e971d4a2d6f3e --- /dev/null +++ b/QM9_tddft/raw/01491.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d186dc6c3904625db86ed4afcbadb74afd0d36d11d1f8218fa81316a10cc63a5 +size 4747858 diff --git a/QM9_tddft/raw/01500.pt b/QM9_tddft/raw/01500.pt new file mode 100644 index 0000000000000000000000000000000000000000..f6ccfdda7c85465970b0021459669dc571527d73 --- /dev/null +++ b/QM9_tddft/raw/01500.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7e3ee4d8b616bfe1d7ea01139b7dc05f2d38ad335aa6ba0eed1653c8ce23e613 +size 4156050 diff --git a/QM9_tddft/raw/01508.pt b/QM9_tddft/raw/01508.pt new file mode 100644 index 0000000000000000000000000000000000000000..61ae4782ed59a4860b510213e2b9ce1e5f7305e9 --- /dev/null +++ b/QM9_tddft/raw/01508.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:24495a2546292a5048a0ed68a8d0fd8a3a92cd0ef65d6c75ec88ea808bcda190 +size 5109778 diff --git a/QM9_tddft/raw/01509.pt b/QM9_tddft/raw/01509.pt new file mode 100644 index 0000000000000000000000000000000000000000..864c8f05cc29ad0275f9291bdb64a68e5840ec9e --- /dev/null +++ b/QM9_tddft/raw/01509.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:940a7ed8db881384f344566e7f4920904805a3c77ff949d4e6736e1c57c92522 +size 4589458 diff --git a/QM9_tddft/raw/01510.pt b/QM9_tddft/raw/01510.pt new file mode 100644 index 0000000000000000000000000000000000000000..bdee26054d7de4fa9ba718e5ddbee183b8831e6b --- /dev/null +++ b/QM9_tddft/raw/01510.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67be3fd519df588a382c7e5d3cdfa016fa0502ae9366f7de0b6c2fc0b03d7c31 +size 5934994 diff --git a/QM9_tddft/raw/01516.pt b/QM9_tddft/raw/01516.pt new file mode 100644 index 0000000000000000000000000000000000000000..552a261221112cbe25cf26fa1877b76fee320e95 --- /dev/null +++ b/QM9_tddft/raw/01516.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c697fce261da33ee70bb1471d54d754e29d6d8858f1556d55ffc619f97d0995 +size 5615442 diff --git a/QM9_tddft/raw/01520.pt b/QM9_tddft/raw/01520.pt new file mode 100644 index 0000000000000000000000000000000000000000..1b4091c548064c4bfd97cb9168be27d4d39d8df8 --- /dev/null +++ b/QM9_tddft/raw/01520.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59bc5da0207c7d8bb2acdf7c2e1166c7fdc348203f1714d14c86a7eead0a592b +size 4329682 diff --git a/QM9_tddft/raw/01523.pt b/QM9_tddft/raw/01523.pt new file mode 100644 index 0000000000000000000000000000000000000000..f54243b61e54b7c560cbe52ef72971a1174bd460 --- /dev/null +++ b/QM9_tddft/raw/01523.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1e7e627b13871ffca4f587fbb4e0cf0fcf5c5c8fdec9508e80a7fd1ba15dcf4 +size 4368978 diff --git a/QM9_tddft/raw/01529.pt b/QM9_tddft/raw/01529.pt new file mode 100644 index 0000000000000000000000000000000000000000..7b1dfb72004fb647a7f49eb860d94ee151f9fc85 --- /dev/null +++ b/QM9_tddft/raw/01529.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:653f5565e41ccaf9b6f226fa4198e1832d7375ad631c8038e7a9d7fdc195dd25 +size 3063314 diff --git a/QM9_tddft/raw/01537.pt b/QM9_tddft/raw/01537.pt new file mode 100644 index 0000000000000000000000000000000000000000..52bb6e000dad822a2ee5141d62c4a421aea6c56e --- /dev/null +++ b/QM9_tddft/raw/01537.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2bded7757f9793c2b9b160be90cfd413c416c164e76204c99092a8ec888dbf0 +size 5109778 diff --git a/QM9_tddft/raw/01544.pt b/QM9_tddft/raw/01544.pt new file mode 100644 index 0000000000000000000000000000000000000000..5fe1e0f3c16766c8b16b4e039f2cec6567f94614 --- /dev/null +++ b/QM9_tddft/raw/01544.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc56b3639f047c8ddb1b7ca05b3f577b8a15a52bb28e6d6a4d80f113161ce72d +size 4156050 diff --git a/QM9_tddft/raw/01549.pt b/QM9_tddft/raw/01549.pt new file mode 100644 index 0000000000000000000000000000000000000000..641809f250a33870796e4e88c61fded5a8e2fb31 --- /dev/null +++ b/QM9_tddft/raw/01549.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c85dca93b829dcda0399894417dccdaa3845517b59fc206ac4514e1d230af86 +size 4274898 diff --git a/QM9_tddft/raw/01551.pt b/QM9_tddft/raw/01551.pt new file mode 100644 index 0000000000000000000000000000000000000000..48150f4eaa278da6750073e31f5afbfc88edc814 --- /dev/null +++ b/QM9_tddft/raw/01551.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:919a67d68f73cda8d733e95943cceb7508acba02d602fd8498a7b5ed4e3fbbe3 +size 5934994 diff --git a/QM9_tddft/raw/01555.pt b/QM9_tddft/raw/01555.pt new file mode 100644 index 0000000000000000000000000000000000000000..d5f57297f7cec90ebc8e0e9696b5dd8b11d4b850 --- /dev/null +++ b/QM9_tddft/raw/01555.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:83f671350341acdd4b3908d6adaaf9cd176d4f6917b260e05e0b43321ebe489a +size 4976530 diff --git a/QM9_tddft/raw/01560.pt b/QM9_tddft/raw/01560.pt new file mode 100644 index 0000000000000000000000000000000000000000..3d10bccdd74d69e2d1e4d4aab2757bdc19b97349 --- /dev/null +++ b/QM9_tddft/raw/01560.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d585a00187aca6cc4aa77dad483f85ca7cf74b553694b13fad709fea38770cf +size 4684370 diff --git a/QM9_tddft/raw/01563.pt b/QM9_tddft/raw/01563.pt new file mode 100644 index 0000000000000000000000000000000000000000..aad300ffcf8266fede4a425cc641d28e76d07133 --- /dev/null +++ b/QM9_tddft/raw/01563.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1b739fe07d16d61a58f386647eed53883d8cbf6252ab27e23fb3fd3a20079a2 +size 4246098 diff --git a/QM9_tddft/raw/01564.pt b/QM9_tddft/raw/01564.pt new file mode 100644 index 0000000000000000000000000000000000000000..f29f19ebfc3f800fc66c04d16ec651c632243f1f --- /dev/null +++ b/QM9_tddft/raw/01564.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22635f9f98d01e728f3927276a85ed91c99c2a319d9d5313aca2e6391f52a8f2 +size 5140242 diff --git a/QM9_tddft/raw/01571.pt b/QM9_tddft/raw/01571.pt new file mode 100644 index 0000000000000000000000000000000000000000..85c4c5ab1c9e8be882f5a5f91e56718f35cfbef2 --- /dev/null +++ b/QM9_tddft/raw/01571.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:067e672070071c9688ced0177117ae421282ecff6b9120ac16e2ce839e74e415 +size 5243090 diff --git a/QM9_tddft/raw/01572.pt b/QM9_tddft/raw/01572.pt new file mode 100644 index 0000000000000000000000000000000000000000..9aa970b554beb456c70181109426e7d746d24622 --- /dev/null +++ b/QM9_tddft/raw/01572.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:26bed958b0aa99acfdaf9a7796fbe94621526215ab0d00e665ab772fba9c3cea +size 5445970 diff --git a/QM9_tddft/raw/01573.pt b/QM9_tddft/raw/01573.pt new file mode 100644 index 0000000000000000000000000000000000000000..a1d07e0ceae0431ade72e9863f23ad6098989c04 --- /dev/null +++ b/QM9_tddft/raw/01573.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:012cfbcea0cea1cff9c5418bd28725d59c7764791ee071037a9e4d6b13b9952a +size 6109970 diff --git a/QM9_tddft/raw/01577.pt b/QM9_tddft/raw/01577.pt new file mode 100644 index 0000000000000000000000000000000000000000..ee35d68ca72d1bb442508819753e7ec7f6f08dd3 --- /dev/null +++ b/QM9_tddft/raw/01577.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2143eabf135614aead616d6b6ecbf4e3d0ea4ebfe905725cc8b0a5c95f7c05af +size 4813650 diff --git a/QM9_tddft/raw/01581.pt b/QM9_tddft/raw/01581.pt new file mode 100644 index 0000000000000000000000000000000000000000..f9713227d4ed4b012fc97309ceed66a6c486f27b --- /dev/null +++ b/QM9_tddft/raw/01581.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f33aa49594c7740aab34ee6b6d520030c0bb4448f39604be688f94e146a8189 +size 5760850 diff --git a/QM9_tddft/raw/01588.pt b/QM9_tddft/raw/01588.pt new file mode 100644 index 0000000000000000000000000000000000000000..d5098a1eb40ab8c8367e3033b47fd9b9c05dd5ad --- /dev/null +++ b/QM9_tddft/raw/01588.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5583d8f3ef3faa7bffc66b2d31b53dc14db56df9b2a8d5b517a483638c871527 +size 4490130 diff --git a/QM9_tddft/raw/01589.pt b/QM9_tddft/raw/01589.pt new file mode 100644 index 0000000000000000000000000000000000000000..0e5f01abb7df4777df6f31158ca8ff7ed14ed9f3 --- /dev/null +++ b/QM9_tddft/raw/01589.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0484865afc72d002322714699a3313d4e7251011edf8c7cabc43d7251f4a94f +size 4308946 diff --git a/QM9_tddft/raw/01606.pt b/QM9_tddft/raw/01606.pt new file mode 100644 index 0000000000000000000000000000000000000000..eabd07a4864ee102a045fec77c7d986d8567a416 --- /dev/null +++ b/QM9_tddft/raw/01606.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da6597e85395add276aa8a9c68d6f88ebdd4908a8845a2ac5d949eef5efa7a8f +size 5109778 diff --git a/QM9_tddft/raw/01607.pt b/QM9_tddft/raw/01607.pt new file mode 100644 index 0000000000000000000000000000000000000000..0089c285ad7b72f0eda387fe5dd5e13b0ada54a4 --- /dev/null +++ b/QM9_tddft/raw/01607.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:308174237fc1f61ff14bc6e443de466b0fb199e397fa79bc564938c24cdc181a +size 6785490 diff --git a/QM9_tddft/raw/01611.pt b/QM9_tddft/raw/01611.pt new file mode 100644 index 0000000000000000000000000000000000000000..d1842d27c767b1631513575e1b817f2afa04c142 --- /dev/null +++ b/QM9_tddft/raw/01611.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38c738373538ebb75f15d24f99350f7849bedaf26805eba1a260a0f9ee909ecd +size 6109970 diff --git a/QM9_tddft/raw/01614.pt b/QM9_tddft/raw/01614.pt new file mode 100644 index 0000000000000000000000000000000000000000..f4be52f5a80396995ca7230c856cafc32d959ced --- /dev/null +++ b/QM9_tddft/raw/01614.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a07a98932ccaf6ef9ce867cef3fd2c1731b916e89f9f90fff4aec2e37e094b21 +size 5176722 diff --git a/QM9_tddft/raw/01616.pt b/QM9_tddft/raw/01616.pt new file mode 100644 index 0000000000000000000000000000000000000000..9ed45da384647e5ab3674764a3d9a376fe20dab5 --- /dev/null +++ b/QM9_tddft/raw/01616.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c08c030d8b471b248fae5f53649c7013fcc6a79b1dd0cb582072c17f9c9a15f +size 5445970 diff --git a/QM9_tddft/raw/01620.pt b/QM9_tddft/raw/01620.pt new file mode 100644 index 0000000000000000000000000000000000000000..6f25b3b90558d983df088411d71f45d5cc4cca96 --- /dev/null +++ b/QM9_tddft/raw/01620.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cbb5c04fa1141ba65b01730eb44ebadf06f983e5894546be6ecdfec494e3e15 +size 4651346 diff --git a/QM9_tddft/raw/01622.pt b/QM9_tddft/raw/01622.pt new file mode 100644 index 0000000000000000000000000000000000000000..390e7890ecf2af89aa3e9b591ae87e6301bb7802 --- /dev/null +++ b/QM9_tddft/raw/01622.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a45122eec89edbb62820ad978cd80763ded4f7464051a34281e436427f198e09 +size 5140242 diff --git a/QM9_tddft/raw/01624.pt b/QM9_tddft/raw/01624.pt new file mode 100644 index 0000000000000000000000000000000000000000..e8525e1999c28f5861b7b57371b2efbe5037a999 --- /dev/null +++ b/QM9_tddft/raw/01624.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5a4261e95544362d856cf5ecc133247ff476e641cfc8fd4fb0f49513d97fa81 +size 5615442 diff --git a/QM9_tddft/raw/01627.pt b/QM9_tddft/raw/01627.pt new file mode 100644 index 0000000000000000000000000000000000000000..ce93ad73d43660a366f12598ce56e5c9051bc6be --- /dev/null +++ b/QM9_tddft/raw/01627.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbbd7dde8b2e49a1b34fa9f159be5ebe20e8339d508bbe265353af915d1227ee +size 5041810 diff --git a/QM9_tddft/raw/01629.pt b/QM9_tddft/raw/01629.pt new file mode 100644 index 0000000000000000000000000000000000000000..bc4807b67cf82d0ac55950d76ad501f549f67204 --- /dev/null +++ b/QM9_tddft/raw/01629.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25027711b6187ddb3bcde3fa2fe4b1d249668b735ce3ceabc8e56a50b56b67f9 +size 5445970 diff --git a/QM9_tddft/raw/01643.pt b/QM9_tddft/raw/01643.pt new file mode 100644 index 0000000000000000000000000000000000000000..d9f45fba6bd65b948799a95f9368a8c8b6011e27 --- /dev/null +++ b/QM9_tddft/raw/01643.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c9ff220104a903bd4987079db4193eeec3be688c3d287b27b6bcbb4d5b93128 +size 4004178 diff --git a/QM9_tddft/raw/01661.pt b/QM9_tddft/raw/01661.pt new file mode 100644 index 0000000000000000000000000000000000000000..1a7b8c559c857e3263c3c04e77e8be8c50b864cf --- /dev/null +++ b/QM9_tddft/raw/01661.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51c3966371750ad91110c94d933513956465563e9a729a0a5ef2deadec5b803a +size 4156050 diff --git a/QM9_tddft/raw/01663.pt b/QM9_tddft/raw/01663.pt new file mode 100644 index 0000000000000000000000000000000000000000..1f24693bbd44172febf379957cd76a2e7341b5d9 --- /dev/null +++ b/QM9_tddft/raw/01663.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7b3d17e49d16c007220283406762c2b123fcecc335e96dadf077271a31c0560 +size 4490130 diff --git a/QM9_tddft/raw/01672.pt b/QM9_tddft/raw/01672.pt new file mode 100644 index 0000000000000000000000000000000000000000..53f723190a4619414c8e0133c5fe0dd2a0abd068 --- /dev/null +++ b/QM9_tddft/raw/01672.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afb261dcbf93787ea88311c017f5b586a6708a562e4cd61c6a8b5d08118d8dcb +size 5445970 diff --git a/QM9_tddft/raw/01676.pt b/QM9_tddft/raw/01676.pt new file mode 100644 index 0000000000000000000000000000000000000000..6ff9596ff70ac62d609fcd17909cfeb52868d7fb --- /dev/null +++ b/QM9_tddft/raw/01676.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2749bd690b98b9becc4ded4bfb5319c2aa48a7dc94cb830be5693b7f732b595 +size 4747858 diff --git a/QM9_tddft/raw/01684.pt b/QM9_tddft/raw/01684.pt new file mode 100644 index 0000000000000000000000000000000000000000..2e7ea02d85ce4a599aeee76d0a56d478cada7a3d --- /dev/null +++ b/QM9_tddft/raw/01684.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:106ff0dd18ee1d0e3b469defcead6423aa1bd4f3d913315355490477b62368a9 +size 5109778 diff --git a/QM9_tddft/raw/01690.pt b/QM9_tddft/raw/01690.pt new file mode 100644 index 0000000000000000000000000000000000000000..22aad48ab313822a926fdc05122c43eff92a2098 --- /dev/null +++ b/QM9_tddft/raw/01690.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af41a97b82a6245a1965d00efbb19fbeee05a6b8a41cd38778643b6ea3116e79 +size 4462482 diff --git a/QM9_tddft/raw/01693.pt b/QM9_tddft/raw/01693.pt new file mode 100644 index 0000000000000000000000000000000000000000..67e5a357c679fcfc7e5b750e171fc64b71b2df7f --- /dev/null +++ b/QM9_tddft/raw/01693.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:794f394205ef75d338533c6a3634616230af92ca5b3ad4143fd37f1c3640e165 +size 5277586 diff --git a/QM9_tddft/raw/01696.pt b/QM9_tddft/raw/01696.pt new file mode 100644 index 0000000000000000000000000000000000000000..f4869a4100eb9e8bb629a9a0fecb8510974d7a7d --- /dev/null +++ b/QM9_tddft/raw/01696.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9693fe8b4047cf9bd7eac805b24ec6e39032b1addab0b8471399f1bc1b8393b8 +size 5615442 diff --git a/QM9_tddft/raw/01701.pt b/QM9_tddft/raw/01701.pt new file mode 100644 index 0000000000000000000000000000000000000000..5e3d267a48a1fc44a6199141cc82103a9180393a --- /dev/null +++ b/QM9_tddft/raw/01701.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:92de90873dae4512aff23eb9254ff53c8daf71f42cd6590edda4ff153f039d4c +size 4526098 diff --git a/QM9_tddft/raw/01703.pt b/QM9_tddft/raw/01703.pt new file mode 100644 index 0000000000000000000000000000000000000000..df7f46c465c015f20e043495f726e7071b71577e --- /dev/null +++ b/QM9_tddft/raw/01703.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:68733ff7a35be9cbd1571ab2805c98937f2711fd8d3a963aa95f710245926773 +size 4976530 diff --git a/QM9_tddft/raw/01714.pt b/QM9_tddft/raw/01714.pt new file mode 100644 index 0000000000000000000000000000000000000000..41c7d9082b529f5b1e5cbe6bee00b66c63124a3d --- /dev/null +++ b/QM9_tddft/raw/01714.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b796f15ef2c0dea24e7dd72975395bb258785615c7b14add5450207d21e0be2 +size 4329682 diff --git a/QM9_tddft/raw/01716.pt b/QM9_tddft/raw/01716.pt new file mode 100644 index 0000000000000000000000000000000000000000..b6843093b842651efdad60c5c495b3419aa0e0f9 --- /dev/null +++ b/QM9_tddft/raw/01716.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed62897a9474295980c237264198f7851d16f2c2b476d5f8da3f2f7dd5ab18bd +size 5277586 diff --git a/QM9_tddft/raw/01721.pt b/QM9_tddft/raw/01721.pt new file mode 100644 index 0000000000000000000000000000000000000000..411a8111cc83562532f937e393f7be598c3aaf6d --- /dev/null +++ b/QM9_tddft/raw/01721.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:126ff60717623e000a98d9e88852594a921674ffbfd6cc247230fe2978ed1353 +size 4976530 diff --git a/QM9_tddft/raw/01732.pt b/QM9_tddft/raw/01732.pt new file mode 100644 index 0000000000000000000000000000000000000000..42ccee22b53289323ab5315be34f048753b9b445 --- /dev/null +++ b/QM9_tddft/raw/01732.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b140efcb0ed7be0a6cb0948137e5fe1f883a8e8c800ef8f15431bed36c2c274 +size 5587346 diff --git a/QM9_tddft/raw/01733.pt b/QM9_tddft/raw/01733.pt new file mode 100644 index 0000000000000000000000000000000000000000..b37f96a08c2f17f0cbb7e3bf56f339673ac2fdc4 --- /dev/null +++ b/QM9_tddft/raw/01733.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9d4c58d6c2d8300ec464d0ec0f9ad8959a6e0c5a2de8365bae376e6f4a739fe +size 4274898 diff --git a/QM9_tddft/raw/01737.pt b/QM9_tddft/raw/01737.pt new file mode 100644 index 0000000000000000000000000000000000000000..f111f2ba152353a6143d0026deb33b722405d0e0 --- /dev/null +++ b/QM9_tddft/raw/01737.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81494f7d6c8d3634198915320d2a9bb2f14f1753f05cc3090bee98b729ce7756 +size 5243090 diff --git a/QM9_tddft/raw/01741.pt b/QM9_tddft/raw/01741.pt new file mode 100644 index 0000000000000000000000000000000000000000..69efefe73970999cdc9cfe258de4a34bfcea3363 --- /dev/null +++ b/QM9_tddft/raw/01741.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9fa5427f5387c2fb7a2b594ffce86306543b5473d607a526020d4f637b9edbf2 +size 4121554 diff --git a/QM9_tddft/raw/01748.pt b/QM9_tddft/raw/01748.pt new file mode 100644 index 0000000000000000000000000000000000000000..3c5009281703f660d6c77255c007fb5720eb3bc2 --- /dev/null +++ b/QM9_tddft/raw/01748.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:069073abc9c3dc712f59ff53e0215b252e72e448f433868cc3ef4573c9bd70b8 +size 4368978 diff --git a/QM9_tddft/raw/01753.pt b/QM9_tddft/raw/01753.pt new file mode 100644 index 0000000000000000000000000000000000000000..7ea7a4113616f83cb126873bf6c3391490cd2d3b --- /dev/null +++ b/QM9_tddft/raw/01753.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1778b666aef1b186698641c42f1bfb388076461817072ca833845602dace4918 +size 4246098 diff --git a/QM9_tddft/raw/01758.pt b/QM9_tddft/raw/01758.pt new file mode 100644 index 0000000000000000000000000000000000000000..d2a96340c0ceec1917bcecac16679973e88778b8 --- /dev/null +++ b/QM9_tddft/raw/01758.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62d425f957b6bafe10684817d240113a99439749cd9266c0e383a7ac484e18d1 +size 5934994 diff --git a/QM9_tddft/raw/01762.pt b/QM9_tddft/raw/01762.pt new file mode 100644 index 0000000000000000000000000000000000000000..081eead59c54fa925a4277d120b3abd7424b73c5 --- /dev/null +++ b/QM9_tddft/raw/01762.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0674d6c5e115d1632f9224a62ac50cb401e2d65ae33f738928fd1faad4aedf3d +size 5445970 diff --git a/QM9_tddft/raw/01767.pt b/QM9_tddft/raw/01767.pt new file mode 100644 index 0000000000000000000000000000000000000000..b8fa28f847b548065a2d006bcda87fe1a95c4ca2 --- /dev/null +++ b/QM9_tddft/raw/01767.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:168f03700143826713e528af02394995829f624c386d2276cf07cd207a790568 +size 5445970 diff --git a/QM9_tddft/raw/01772.pt b/QM9_tddft/raw/01772.pt new file mode 100644 index 0000000000000000000000000000000000000000..4ee87ecd274fe0369ce82a8f36cc42bc09e940d1 --- /dev/null +++ b/QM9_tddft/raw/01772.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c61d5b65fa2f88c9c3fbb9f35b28fa2901ce216cf3fe99db393116b467f3165a +size 5277586 diff --git a/QM9_tddft/raw/01774.pt b/QM9_tddft/raw/01774.pt new file mode 100644 index 0000000000000000000000000000000000000000..4017ad087da9aeaeb905817619f16559c92281c8 --- /dev/null +++ b/QM9_tddft/raw/01774.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c475024fbabaa34d2194f4db8528fa0017ec904c9b34befe5b61488255bf3b2 +size 5140242 diff --git a/QM9_tddft/raw/01778.pt b/QM9_tddft/raw/01778.pt new file mode 100644 index 0000000000000000000000000000000000000000..2bd64533a8171ddf700823708353927a07551a93 --- /dev/null +++ b/QM9_tddft/raw/01778.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b725ffa01523995ee670b47779be891dbc21e9a29b8ebf088f217329f432c03 +size 4651346 diff --git a/QM9_tddft/raw/01779.pt b/QM9_tddft/raw/01779.pt new file mode 100644 index 0000000000000000000000000000000000000000..3a7cb50f94a34a39b33f805934bb14749227bc06 --- /dev/null +++ b/QM9_tddft/raw/01779.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d8c3f46596a53a91b84400544fd99141ab8803d4fe2933c31f6ed5bac09451e +size 5470034 diff --git a/QM9_tddft/raw/01780.pt b/QM9_tddft/raw/01780.pt new file mode 100644 index 0000000000000000000000000000000000000000..37649faa7c4ed51fff1b0bb854b9cb5f1bdd6267 --- /dev/null +++ b/QM9_tddft/raw/01780.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4593c9048211b69b1e05d17823d5cc9bad566564705f87726150585b01b942c5 +size 4976530 diff --git a/QM9_tddft/raw/01781.pt b/QM9_tddft/raw/01781.pt new file mode 100644 index 0000000000000000000000000000000000000000..3599234116ec9f412b923b0eda02e4b4bb0e2966 --- /dev/null +++ b/QM9_tddft/raw/01781.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:646d6d467f9a9000b148521cd5f648d2a870829daca0e6882cd9b8a22ecf7f1d +size 5277586 diff --git a/QM9_tddft/raw/01782.pt b/QM9_tddft/raw/01782.pt new file mode 100644 index 0000000000000000000000000000000000000000..01e41c6d10d7461998cde2fa3a45190a9617aa72 --- /dev/null +++ b/QM9_tddft/raw/01782.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2fe64943421f15fb299ea3463d8f6cdb7f8cc23355732b14fa2bb2a42efdceb +size 5956498 diff --git a/QM9_tddft/raw/01783.pt b/QM9_tddft/raw/01783.pt new file mode 100644 index 0000000000000000000000000000000000000000..34b5f0172d47c0013c1ff6683d21234b1af5c446 --- /dev/null +++ b/QM9_tddft/raw/01783.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e873340e4a620cbbd390067ad1fbfaf3b8727c1ce3dcb603d600bd9cca86379b +size 4526098 diff --git a/QM9_tddft/raw/01786.pt b/QM9_tddft/raw/01786.pt new file mode 100644 index 0000000000000000000000000000000000000000..196419f564199665d5f9ff83dac1e6f134fde5cc --- /dev/null +++ b/QM9_tddft/raw/01786.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eea982a0f016006f8f40c3cc8b9b539a80d44c2cb0c9e41e8d3819b0d3feacb1 +size 5934994 diff --git a/QM9_tddft/raw/01797.pt b/QM9_tddft/raw/01797.pt new file mode 100644 index 0000000000000000000000000000000000000000..db97288b039b86383b85c57d1fb82694b02f5c88 --- /dev/null +++ b/QM9_tddft/raw/01797.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b94fea251e8757b73f1c4dc00fcb084ccb349bc379f7e9d75a8baa9d94456caa +size 4368978 diff --git a/QM9_tddft/raw/01805.pt b/QM9_tddft/raw/01805.pt new file mode 100644 index 0000000000000000000000000000000000000000..9b8a5c8faa64736c7ee03f6760be82a937cb42c6 --- /dev/null +++ b/QM9_tddft/raw/01805.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ca756184e13a3a31ec46d565ed8599977e53289d93e889d6c14075c0c867ab5e +size 5277586 diff --git a/QM9_tddft/raw/01810.pt b/QM9_tddft/raw/01810.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c48d28df5aa07124fe2c887a0b0de3ef6a3f400 --- /dev/null +++ b/QM9_tddft/raw/01810.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a56bfab21e0f6dee70e415e4acff833a344c088558fc457df4164aae05f7f5a5 +size 5760850 diff --git a/QM9_tddft/raw/01812.pt b/QM9_tddft/raw/01812.pt new file mode 100644 index 0000000000000000000000000000000000000000..bafee6e25850cec0f55993a12994a47516094594 --- /dev/null +++ b/QM9_tddft/raw/01812.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74234151c7c7aaafb7d5cdf945bfed521f52254f0b93ef5f8e039ba7f3ea1519 +size 4684370 diff --git a/QM9_tddft/raw/01814.pt b/QM9_tddft/raw/01814.pt new file mode 100644 index 0000000000000000000000000000000000000000..e30fd110755a063f408eafbfdf3a889b3591656a --- /dev/null +++ b/QM9_tddft/raw/01814.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c4364380370abb22a1f39043cb3e3524d8ec261c8cf73f9230f1bd8b1b7c77a +size 4684370 diff --git a/QM9_tddft/raw/01818.pt b/QM9_tddft/raw/01818.pt new file mode 100644 index 0000000000000000000000000000000000000000..610af504dcc7246b08101d5f5504ff6492c89455 --- /dev/null +++ b/QM9_tddft/raw/01818.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c37d59ed46d902278b5bf3a529e82731f8fe137bb767d50ba281eee4d58dd9c +size 5414930 diff --git a/QM9_tddft/raw/01821.pt b/QM9_tddft/raw/01821.pt new file mode 100644 index 0000000000000000000000000000000000000000..3f6554e0b9dc897bc386bb908443089f18615a7f --- /dev/null +++ b/QM9_tddft/raw/01821.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a6ab53ba5cec1aab2c1acf63c9458efebb3fd39c16bc3366fb361a891bdaf54e +size 5140242 diff --git a/QM9_tddft/raw/01828.pt b/QM9_tddft/raw/01828.pt new file mode 100644 index 0000000000000000000000000000000000000000..3e7c9c542f203e0f80cab7ae931bc332d244e5ff --- /dev/null +++ b/QM9_tddft/raw/01828.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df0b796becebc18468eea508abdfca131fe2bdebc642c924f75c263784d54fe9 +size 4942866 diff --git a/QM9_tddft/raw/01831.pt b/QM9_tddft/raw/01831.pt new file mode 100644 index 0000000000000000000000000000000000000000..975e6e32573c91b11ddc958c32674c1555072fb3 --- /dev/null +++ b/QM9_tddft/raw/01831.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:44f31f4896a7d9be4e74f2bc2c6cbefbcc7ffd81024c7b40979923c28753dc47 +size 4906898 diff --git a/QM9_tddft/raw/01832.pt b/QM9_tddft/raw/01832.pt new file mode 100644 index 0000000000000000000000000000000000000000..92308313b35187bc39f7fd95463cd2076c457441 --- /dev/null +++ b/QM9_tddft/raw/01832.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb1f2d0348bc6129699de8556dbaec8e7ec9fd6f204d90ef6773be6845be505c +size 4976530 diff --git a/QM9_tddft/raw/01836.pt b/QM9_tddft/raw/01836.pt new file mode 100644 index 0000000000000000000000000000000000000000..e42983ffc418e4899d6246b8df4e226ef388d775 --- /dev/null +++ b/QM9_tddft/raw/01836.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76accbeb53cab7be04a39694b395ca52dac9fb3fcd078c98d4881b8e2c6e9bd4 +size 5934994 diff --git a/QM9_tddft/raw/01841.pt b/QM9_tddft/raw/01841.pt new file mode 100644 index 0000000000000000000000000000000000000000..e4be61206723cb2c5e68e2070ed6c9e79d0838cb --- /dev/null +++ b/QM9_tddft/raw/01841.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8582641668f0cc9f405b149908b339590c109f2afa63509c5878e0dab7d91a6d +size 5445970 diff --git a/QM9_tddft/raw/01850.pt b/QM9_tddft/raw/01850.pt new file mode 100644 index 0000000000000000000000000000000000000000..838c1491b8565f85ad27aa4cafda4def56641d80 --- /dev/null +++ b/QM9_tddft/raw/01850.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:637f4abae5a63872384365a1a91e4840ec4db67d1069f8e24f6144e14f061147 +size 5277586 diff --git a/QM9_tddft/raw/01853.pt b/QM9_tddft/raw/01853.pt new file mode 100644 index 0000000000000000000000000000000000000000..7220dc5570ca44b3c3ec46b676443b86bcf26f7d --- /dev/null +++ b/QM9_tddft/raw/01853.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6f8312618a8c66124b65043f58c652a3a760d6a5c4eac3e549996d512855d70 +size 5140242 diff --git a/QM9_tddft/raw/01858.pt b/QM9_tddft/raw/01858.pt new file mode 100644 index 0000000000000000000000000000000000000000..043486ef7e9267636fc6d3af84ba3d6846203f17 --- /dev/null +++ b/QM9_tddft/raw/01858.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2441b09f7501d47aa2fa88841051af857a37eced4dfd0acd9057fad18a180d23 +size 5243090 diff --git a/QM9_tddft/raw/01862.pt b/QM9_tddft/raw/01862.pt new file mode 100644 index 0000000000000000000000000000000000000000..dfe7ff8c6e9a4159a13f84330198fcd81bb0a6c1 --- /dev/null +++ b/QM9_tddft/raw/01862.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c808bfd2274504df4db3c03056c2bd4656e40ec2da88a1fafadde701d87a7afe +size 5109778 diff --git a/QM9_tddft/raw/01866.pt b/QM9_tddft/raw/01866.pt new file mode 100644 index 0000000000000000000000000000000000000000..ac4bc9c4a26391b9f20f0ea43fe73f57d86740ba --- /dev/null +++ b/QM9_tddft/raw/01866.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:367eb51176c050cac5645b38d613915624181d84d8d67a38b2901598b7b5ea9f +size 5414930 diff --git a/QM9_tddft/raw/01867.pt b/QM9_tddft/raw/01867.pt new file mode 100644 index 0000000000000000000000000000000000000000..30d72b8b2e3bf77d50e14516a740cd93ac35bf7e --- /dev/null +++ b/QM9_tddft/raw/01867.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11122ea5ecb575664d5dbfaf2095a6da5a14ef0d0f0a01ad0c344671b33c84a8 +size 5140242 diff --git a/QM9_tddft/raw/01869.pt b/QM9_tddft/raw/01869.pt new file mode 100644 index 0000000000000000000000000000000000000000..a6148d0d4f0780413f50947ffe8e1547eb87bdb7 --- /dev/null +++ b/QM9_tddft/raw/01869.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b4b5b76949b5cc508d43be1021ca80e1f464bb0bbeb097eb48905f5acaff9b5f +size 6109970 diff --git a/QM9_tddft/raw/01871.pt b/QM9_tddft/raw/01871.pt new file mode 100644 index 0000000000000000000000000000000000000000..202e1aca24eac98f6bad62fd4d628c28ff344ca4 --- /dev/null +++ b/QM9_tddft/raw/01871.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a489aed50cdac4658af984058a3d513c8847b79c40a168f436cd92fa66594123 +size 4611346 diff --git a/QM9_tddft/raw/01875.pt b/QM9_tddft/raw/01875.pt new file mode 100644 index 0000000000000000000000000000000000000000..49c4638e5e22db89315f1a55e45ff270ef95cffb --- /dev/null +++ b/QM9_tddft/raw/01875.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:270fe777a6397faa7490e347a9b065e2d07345639572b5b9847d94cd21b2cd0d +size 3300434 diff --git a/QM9_tddft/raw/01877.pt b/QM9_tddft/raw/01877.pt new file mode 100644 index 0000000000000000000000000000000000000000..b6cf435ea059d52813db0aa31e3be82953d89951 --- /dev/null +++ b/QM9_tddft/raw/01877.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:541a0204b57bf275b0ed1ac160766801c877d589dff151435d19cf63b692de8f +size 5277586 diff --git a/QM9_tddft/raw/01878.pt b/QM9_tddft/raw/01878.pt new file mode 100644 index 0000000000000000000000000000000000000000..bc61c2ec57645a7b8bbdf274a20eca183bad18cf --- /dev/null +++ b/QM9_tddft/raw/01878.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a2aca287acbc55927f80da44de2600f189a6babd46f32968fdd8b7cdd3fcfb1 +size 5304594 diff --git a/QM9_tddft/raw/01885.pt b/QM9_tddft/raw/01885.pt new file mode 100644 index 0000000000000000000000000000000000000000..9d5b922b150886ae68af56f80883cff556ce11ee --- /dev/null +++ b/QM9_tddft/raw/01885.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7616e6cb76783a0b2c444d1b96fe837cca3356d90711c7a50c2cef729d4c7fb1 +size 5760850 diff --git a/QM9_tddft/raw/01893.pt b/QM9_tddft/raw/01893.pt new file mode 100644 index 0000000000000000000000000000000000000000..f9f34b39f920bba10a1da4c8dab96ca30c240f60 --- /dev/null +++ b/QM9_tddft/raw/01893.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:827df7b7b46f733cf703c3cd46627f571bf4047b7597647f13b6b8ae84d5a479 +size 4490130 diff --git a/QM9_tddft/raw/01895.pt b/QM9_tddft/raw/01895.pt new file mode 100644 index 0000000000000000000000000000000000000000..351d38e564ba88463d13d610e3fed7c3107574f7 --- /dev/null +++ b/QM9_tddft/raw/01895.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9f3b22bcf046192b403a020d7c74b27a015d630d54cb5357ddce50f129d1ac9 +size 5109778 diff --git a/QM9_tddft/raw/01901.pt b/QM9_tddft/raw/01901.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a21c11964be5002690b3da0c0f4b91d9834ab78 --- /dev/null +++ b/QM9_tddft/raw/01901.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc86b2e245530f22a9a6fdc0cb0799b2c192590390cc8add1ea6b9485b8c6714 +size 4747858 diff --git a/QM9_tddft/raw/01905.pt b/QM9_tddft/raw/01905.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a8c56245c77ba8696fa6a3a040d07b408946cc0 --- /dev/null +++ b/QM9_tddft/raw/01905.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9af01c9efca1a46c746a21b3bd8762ad1cadd74f95bf0326d3026c25409cf5a3 +size 4308946 diff --git a/QM9_tddft/raw/01918.pt b/QM9_tddft/raw/01918.pt new file mode 100644 index 0000000000000000000000000000000000000000..84ac17be762ca59631afd98f976878a87f607870 --- /dev/null +++ b/QM9_tddft/raw/01918.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77d5e08cdf9c912baecbbef403df330deae4c6b5d325a5c34d2cd61752991276 +size 4308946 diff --git a/QM9_tddft/raw/01919.pt b/QM9_tddft/raw/01919.pt new file mode 100644 index 0000000000000000000000000000000000000000..5706bb58ddbe415ab66a367f864d92968e74b861 --- /dev/null +++ b/QM9_tddft/raw/01919.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2b806434e773bb1b1919cc0d79378fe164885665f44b856cfd1321253c943a0 +size 4651346 diff --git a/QM9_tddft/raw/01927.pt b/QM9_tddft/raw/01927.pt new file mode 100644 index 0000000000000000000000000000000000000000..e613552767fa718ba9d2cf0c64c1d3848a0a034c --- /dev/null +++ b/QM9_tddft/raw/01927.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7826f857374ea07503059df73c63926bd058ce9b585741a4399b6f1fd3dfebbb +size 4942866 diff --git a/QM9_tddft/raw/01929.pt b/QM9_tddft/raw/01929.pt new file mode 100644 index 0000000000000000000000000000000000000000..70857f2089e45f1ca950226663429b6b02efd620 --- /dev/null +++ b/QM9_tddft/raw/01929.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1b8a0200903aa4142a72e4d5d289739b14a8cf117a9ab5c4f6a054d2fdd7c65 +size 3792786 diff --git a/QM9_tddft/raw/01940.pt b/QM9_tddft/raw/01940.pt new file mode 100644 index 0000000000000000000000000000000000000000..feced12a21e040b6050bfc6ec3bc40ccfa228ad8 --- /dev/null +++ b/QM9_tddft/raw/01940.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8fc2b3adc1ba25a97485f070c488c62a522dd709b7a8b61d3958029ee8e44204 +size 4976530 diff --git a/QM9_tddft/raw/01946.pt b/QM9_tddft/raw/01946.pt new file mode 100644 index 0000000000000000000000000000000000000000..51cf4a595c3aca10c3f91261d70b96a0dc0aed14 --- /dev/null +++ b/QM9_tddft/raw/01946.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82e267c7d7f9961bbad591d30c1f39f3ff2f3ceb3f42e137a38f6a704b7cdd6e +size 4431890 diff --git a/QM9_tddft/raw/01947.pt b/QM9_tddft/raw/01947.pt new file mode 100644 index 0000000000000000000000000000000000000000..d075a17f4821bfc08f96b8f8373c13e1eb046697 --- /dev/null +++ b/QM9_tddft/raw/01947.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3338ad4698dc94b5199837ec9c5fb985141d07e390a0679625669a6b0bb475a9 +size 5760850 diff --git a/QM9_tddft/raw/01952.pt b/QM9_tddft/raw/01952.pt new file mode 100644 index 0000000000000000000000000000000000000000..ed1b2217c179cdfc4abe1623264bc85514afe355 --- /dev/null +++ b/QM9_tddft/raw/01952.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e4b6b2eade7ef9a1a412a07256081b252036cb59ced632d9ec754b0f27b98a71 +size 4942866 diff --git a/QM9_tddft/raw/01956.pt b/QM9_tddft/raw/01956.pt new file mode 100644 index 0000000000000000000000000000000000000000..07b25ef627ad284bd8a77027fc49c8f9e4e7320e --- /dev/null +++ b/QM9_tddft/raw/01956.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1eef25326891a0874d77272aef84b158f67c251bd39b5524f90ca1a81c2d3146 +size 4095250 diff --git a/QM9_tddft/raw/01959.pt b/QM9_tddft/raw/01959.pt new file mode 100644 index 0000000000000000000000000000000000000000..0c571b198d5449201cf317977962e69613c35553 --- /dev/null +++ b/QM9_tddft/raw/01959.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:247797ee38e440d5ef5228ac0f8f455e3b3a3f95e004a435c47a63a533d85dc4 +size 4776530 diff --git a/QM9_tddft/raw/01964.pt b/QM9_tddft/raw/01964.pt new file mode 100644 index 0000000000000000000000000000000000000000..4386f1dfa1bf580217b111777e61b5287c40c8e9 --- /dev/null +++ b/QM9_tddft/raw/01964.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7769d0ff0b297592d1e02eaca3e15cc26a48c9088a0799b5aa5506e49f6ea63a +size 4589458 diff --git a/QM9_tddft/raw/01967.pt b/QM9_tddft/raw/01967.pt new file mode 100644 index 0000000000000000000000000000000000000000..3efa3dc7328c36c91d71e0ccb62083d7b78dbe79 --- /dev/null +++ b/QM9_tddft/raw/01967.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59c571a3858fc6ed436f120c82693387af5382ac218dcb75c8fee1369b525b74 +size 6624082 diff --git a/QM9_tddft/raw/01968.pt b/QM9_tddft/raw/01968.pt new file mode 100644 index 0000000000000000000000000000000000000000..ca8a986ff336327860d8039e9b81011f122de2e5 --- /dev/null +++ b/QM9_tddft/raw/01968.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91af734881a5f116dd0f7010326e832b15af0117085313d40c4a386eebc30ae2 +size 5277586 diff --git a/QM9_tddft/raw/01970.pt b/QM9_tddft/raw/01970.pt new file mode 100644 index 0000000000000000000000000000000000000000..6b4ef51eedc7deb78744851d4e379bc4f9f3f76c --- /dev/null +++ b/QM9_tddft/raw/01970.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2742590aeece68a33f02f02dea6f33a474091ec618a8ef2b0ad7fdded1a539d +size 5140242 diff --git a/QM9_tddft/raw/01974.pt b/QM9_tddft/raw/01974.pt new file mode 100644 index 0000000000000000000000000000000000000000..29508631fa3ee1fd4e402aeb71f2a1190931719f --- /dev/null +++ b/QM9_tddft/raw/01974.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad118c81c6cb03c360ec756f75411513fbb9486b80ff1e674c81f971b2e528b2 +size 5109778 diff --git a/QM9_tddft/raw/01978.pt b/QM9_tddft/raw/01978.pt new file mode 100644 index 0000000000000000000000000000000000000000..be8bfc6c6a1da460419da2ed905b6c9e6bd69d40 --- /dev/null +++ b/QM9_tddft/raw/01978.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e254f4a24d7e220f96e08e5a9867331414c09899f7754320a3e457ecfa411450 +size 4813650 diff --git a/QM9_tddft/raw/01981.pt b/QM9_tddft/raw/01981.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2ee69c54752280ea4af8465cc579dda4b2d3256 --- /dev/null +++ b/QM9_tddft/raw/01981.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a6dfaf513408be9d4585583dde3abe7d44d0d719187e4923731568ff2a6b7c2 +size 4942866 diff --git a/QM9_tddft/raw/01985.pt b/QM9_tddft/raw/01985.pt new file mode 100644 index 0000000000000000000000000000000000000000..bc0a05992909ac5f75d33645e2fe20e3345db454 --- /dev/null +++ b/QM9_tddft/raw/01985.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5d089f2a1b4add7baf4b4cee3adf35fa1956a7b3d7498e68e8a89c07112dcf88 +size 4976530 diff --git a/QM9_tddft/raw/01987.pt b/QM9_tddft/raw/01987.pt new file mode 100644 index 0000000000000000000000000000000000000000..56cd899bdc167870b30afd6cf044292814275ae7 --- /dev/null +++ b/QM9_tddft/raw/01987.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04c1c4b073834b2336da6de59116fc9386485ce6ff7d7ddcbfd9644e5cedd4bd +size 4368978 diff --git a/QM9_tddft/raw/02000.pt b/QM9_tddft/raw/02000.pt new file mode 100644 index 0000000000000000000000000000000000000000..fdd194580c14f0f03fe75c93e7b7aa404aa78768 --- /dev/null +++ b/QM9_tddft/raw/02000.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32a285e00274fb3f7e28e2015a034f55f8724e1e28ab8bf01b4b0cfb32269553 +size 4747858 diff --git a/QM9_tddft/raw/02002.pt b/QM9_tddft/raw/02002.pt new file mode 100644 index 0000000000000000000000000000000000000000..232e1689218157bc74d16fb2a6bb305280c2b03f --- /dev/null +++ b/QM9_tddft/raw/02002.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f01d4a75aa8b0bdb1dd014359b1081ae0173c2699a3ed12876b9444de8452cb +size 5934994 diff --git a/QM9_tddft/raw/02006.pt b/QM9_tddft/raw/02006.pt new file mode 100644 index 0000000000000000000000000000000000000000..958bd8633d7a944c2edbc7f378bfb9fac5f68a88 --- /dev/null +++ b/QM9_tddft/raw/02006.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6bf44169599f61e6ac67f9bdeb105460cda5dda9cb378c8f0aa2e8b843f352b0 +size 6285650 diff --git a/QM9_tddft/raw/02010.pt b/QM9_tddft/raw/02010.pt new file mode 100644 index 0000000000000000000000000000000000000000..427db36a16e291cf88e69e5c1b26435592b60244 --- /dev/null +++ b/QM9_tddft/raw/02010.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:048ccc2a1f63af84d215a6f84ffef15afbc395151d58c35bed85a0df63866180 +size 4942866 diff --git a/QM9_tddft/raw/02012.pt b/QM9_tddft/raw/02012.pt new file mode 100644 index 0000000000000000000000000000000000000000..e4b22bfde248d82c4c40a09a27ba115287736a62 --- /dev/null +++ b/QM9_tddft/raw/02012.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cdb48c3ff751102cf8e90345e7fa51f447ae32ce582ae9c5851307ce4e3b4aa2 +size 4684370 diff --git a/QM9_tddft/raw/02013.pt b/QM9_tddft/raw/02013.pt new file mode 100644 index 0000000000000000000000000000000000000000..609864e522b86dad743312e07f9cf4bc3c799e69 --- /dev/null +++ b/QM9_tddft/raw/02013.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d8b68cf055f5054026cac458b82faf8534f5eb2bcc0e4a0f393613c90a9fadc +size 5445970 diff --git a/QM9_tddft/raw/02024.pt b/QM9_tddft/raw/02024.pt new file mode 100644 index 0000000000000000000000000000000000000000..12aaeaa37f0e66dc6e3775ad3ef84c939d504697 --- /dev/null +++ b/QM9_tddft/raw/02024.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a7775448cad0c2df437c8858409b79611266b719abee957f5c24d053d0380a1 +size 4976530 diff --git a/QM9_tddft/raw/02030.pt b/QM9_tddft/raw/02030.pt new file mode 100644 index 0000000000000000000000000000000000000000..e2fa8aace4a793fdbf8e4d1e5435ec46e7642e7c --- /dev/null +++ b/QM9_tddft/raw/02030.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3988236d45381573f8a79eb8cdad614a639bc49aacfc930d6d08e51b41ad8199 +size 5445970 diff --git a/QM9_tddft/raw/02031.pt b/QM9_tddft/raw/02031.pt new file mode 100644 index 0000000000000000000000000000000000000000..285014b985ce5b4e6cc2762854fd287f726eeae9 --- /dev/null +++ b/QM9_tddft/raw/02031.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c1c2f30aa40757095d5a27a5c7b37f2644330a65f905d653b6e82fb9a98cc5a +size 5760850 diff --git a/QM9_tddft/raw/02039.pt b/QM9_tddft/raw/02039.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a3130382cb2bbbd8f795abd1aa60c6aedd20f0e --- /dev/null +++ b/QM9_tddft/raw/02039.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80f0d309a2138ef47c445730af38a11d6e8d194a8a0dda90f167e5f436a2f03e +size 4747858 diff --git a/QM9_tddft/raw/02040.pt b/QM9_tddft/raw/02040.pt new file mode 100644 index 0000000000000000000000000000000000000000..fff00949fae659d21d8bc22d3666d60fbcff5c7c --- /dev/null +++ b/QM9_tddft/raw/02040.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15d1a0864ddb3fe06e54f824605e8f9d847f420e79b1b99725bde7f3bf88783c +size 4490130 diff --git a/QM9_tddft/raw/02050.pt b/QM9_tddft/raw/02050.pt new file mode 100644 index 0000000000000000000000000000000000000000..02265e71259178941947a9d9dd5430cdea757c24 --- /dev/null +++ b/QM9_tddft/raw/02050.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d0a488efa10d62529ff955f837bed569508893be99d4c7f3b540f3846f933e8 +size 3300434 diff --git a/QM9_tddft/raw/02051.pt b/QM9_tddft/raw/02051.pt new file mode 100644 index 0000000000000000000000000000000000000000..f190762274750be09c4318dceb828980943006f6 --- /dev/null +++ b/QM9_tddft/raw/02051.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ada574c93938b5a731152fd2b89363e76d3b6198561c4ce42d118f4841de2224 +size 5304594 diff --git a/QM9_tddft/raw/02057.pt b/QM9_tddft/raw/02057.pt new file mode 100644 index 0000000000000000000000000000000000000000..e6de6c84a694b6616ed111c568f347d79a753b30 --- /dev/null +++ b/QM9_tddft/raw/02057.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f0c97093fbb74a0d5d1e5ce9e766f243b958b6c9420e9a6f49d8b493f966bb9 +size 5072146 diff --git a/QM9_tddft/raw/02062.pt b/QM9_tddft/raw/02062.pt new file mode 100644 index 0000000000000000000000000000000000000000..484d7e97984ca8f02f4e4e2ca6c5328a36c4b216 --- /dev/null +++ b/QM9_tddft/raw/02062.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71a237be529f3d0b802e5481371b279b36ec2f87d212bbd73b1abe53a4f67faf +size 4813650 diff --git a/QM9_tddft/raw/02064.pt b/QM9_tddft/raw/02064.pt new file mode 100644 index 0000000000000000000000000000000000000000..a60e1405977e5462cc2fd71b3e575c6fc3daacba --- /dev/null +++ b/QM9_tddft/raw/02064.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df2c7226a3b95d43cd293d3e309492ec952db09e3af947952382439d39bb18e0 +size 6263570 diff --git a/QM9_tddft/raw/02069.pt b/QM9_tddft/raw/02069.pt new file mode 100644 index 0000000000000000000000000000000000000000..f73ecb35c1a404d5f4e335914edb9d14c46d64b5 --- /dev/null +++ b/QM9_tddft/raw/02069.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:531348022757dc8392fe31a0a614b5b98506731074bf320c43fe68baaa4ba90d +size 5934994 diff --git a/QM9_tddft/raw/02070.pt b/QM9_tddft/raw/02070.pt new file mode 100644 index 0000000000000000000000000000000000000000..ea8d4613e7634bc3709a88d83800faccce9c28c0 --- /dev/null +++ b/QM9_tddft/raw/02070.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b6230a40f093dc9c834332ad89f5e88e93f040c212b92208fb0b44447f0564e +size 4942866 diff --git a/QM9_tddft/raw/02079.pt b/QM9_tddft/raw/02079.pt new file mode 100644 index 0000000000000000000000000000000000000000..2b4db00a8d7fd105ec9f70d2948db02458d23b8f --- /dev/null +++ b/QM9_tddft/raw/02079.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebc651f0423704c8bcf16c9a920eb3c1e11b56355c219c9105bf8b40abecf44e +size 5587346 diff --git a/QM9_tddft/raw/02086.pt b/QM9_tddft/raw/02086.pt new file mode 100644 index 0000000000000000000000000000000000000000..22f762ca881a2e8c4e3b9265bf9f4f8a9bce0b98 --- /dev/null +++ b/QM9_tddft/raw/02086.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eeada2b59e8e162e394393bbbd51e8de9b0917dfcdacaa05d9d0d104a3ced208 +size 5414930 diff --git a/QM9_tddft/raw/02095.pt b/QM9_tddft/raw/02095.pt new file mode 100644 index 0000000000000000000000000000000000000000..88135427d0bc2ae78c3ca274529a2284b3bcc3b2 --- /dev/null +++ b/QM9_tddft/raw/02095.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:494d7ab44e485ed755547f8b2dc57dff9afdc04e7da2c89d4a54ea9bb1e83dae +size 4684370 diff --git a/QM9_tddft/raw/02097.pt b/QM9_tddft/raw/02097.pt new file mode 100644 index 0000000000000000000000000000000000000000..9578d06783d5bc5e7b581524d8bc8566b8e8ac3f --- /dev/null +++ b/QM9_tddft/raw/02097.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:882abd645aade15cad5fe18de969a9b318df7de532d3c64abbe85b760aafc6c1 +size 4170066 diff --git a/QM9_tddft/raw/02099.pt b/QM9_tddft/raw/02099.pt new file mode 100644 index 0000000000000000000000000000000000000000..d16aa9f7102f8c2158ab2437eafdb2a27e7c2d02 --- /dev/null +++ b/QM9_tddft/raw/02099.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9487938cb41c77c313cb1271029d5fffd444d4d6beae008205494d3a809de45 +size 4526098 diff --git a/QM9_tddft/raw/02111.pt b/QM9_tddft/raw/02111.pt new file mode 100644 index 0000000000000000000000000000000000000000..8855614f5756e7b64777714acc88253782926150 --- /dev/null +++ b/QM9_tddft/raw/02111.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39b10eac30fb11447aaccdf6e0355abccb26ab80ea6e6c77eb00feac911d3e23 +size 4813650 diff --git a/QM9_tddft/raw/02116.pt b/QM9_tddft/raw/02116.pt new file mode 100644 index 0000000000000000000000000000000000000000..0ac5fa85edfa2223cd97b0fa03758e958848f82f --- /dev/null +++ b/QM9_tddft/raw/02116.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:542465ee0bbe53c8f4d1f81949a3d20b61ca7deeffa49772514866f1118222e3 +size 5760850 diff --git a/QM9_tddft/raw/02120.pt b/QM9_tddft/raw/02120.pt new file mode 100644 index 0000000000000000000000000000000000000000..6aaed978834b55e5de88a7e799f5a74bd0348854 --- /dev/null +++ b/QM9_tddft/raw/02120.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71d2ea79263d494dfbb16ea86e8cc5fea83a4540e219b0c2bf3b5ecf81fa5c85 +size 5277586 diff --git a/QM9_tddft/raw/02123.pt b/QM9_tddft/raw/02123.pt new file mode 100644 index 0000000000000000000000000000000000000000..fbb1496d2ef3fd26d3aec75353be9705c56cc621 --- /dev/null +++ b/QM9_tddft/raw/02123.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d4986bf2e5ad93f0ba105df1526c99689df1863d0204b61a4449506308d58f0 +size 5615442 diff --git a/QM9_tddft/raw/02124.pt b/QM9_tddft/raw/02124.pt new file mode 100644 index 0000000000000000000000000000000000000000..61cd05f5aa5678f55804e80278e29a259370a1b0 --- /dev/null +++ b/QM9_tddft/raw/02124.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e3bdde728610e5c173e59125c8cae7214ea6af3f7767ff1c0c90706f7ab10fe +size 4368978 diff --git a/QM9_tddft/raw/02125.pt b/QM9_tddft/raw/02125.pt new file mode 100644 index 0000000000000000000000000000000000000000..a7e2c0de7b07cb54a1cf9c21d516c0195e0a665a --- /dev/null +++ b/QM9_tddft/raw/02125.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15125d6d95149f568085a95f7dee4aae2641c498713b7bc28ccd25683d2d265b +size 4651346 diff --git a/QM9_tddft/raw/02128.pt b/QM9_tddft/raw/02128.pt new file mode 100644 index 0000000000000000000000000000000000000000..19728650795a2dda2a448c1ffa50326af4866f43 --- /dev/null +++ b/QM9_tddft/raw/02128.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a81a97e6718590a8a9cd1b17be3d387ed29e85144c0de0dd51c8a3a6533a7f9 +size 4400786 diff --git a/QM9_tddft/raw/02131.pt b/QM9_tddft/raw/02131.pt new file mode 100644 index 0000000000000000000000000000000000000000..e905c71c616f8315beeb79f48b25e1a0e04fb203 --- /dev/null +++ b/QM9_tddft/raw/02131.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:26acb7272ee7609a51b4051fa221bdff6909da3bd5ca18c7ce3e4744387629e8 +size 4368978 diff --git a/QM9_tddft/raw/02132.pt b/QM9_tddft/raw/02132.pt new file mode 100644 index 0000000000000000000000000000000000000000..5b0c1f2cfd55c79c563c50c117a1ef02deb413e3 --- /dev/null +++ b/QM9_tddft/raw/02132.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb528db80904aafebec311f7d3276008021f40443d10fd387251840736243fa4 +size 4976530 diff --git a/QM9_tddft/raw/02138.pt b/QM9_tddft/raw/02138.pt new file mode 100644 index 0000000000000000000000000000000000000000..498ec6f5b27feae058c962e136d76fba925c8387 --- /dev/null +++ b/QM9_tddft/raw/02138.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb5abb19b28ebbc5c4bc3ed87b15149bef485b896cb92d27c094049b6fddd698 +size 5760850 diff --git a/QM9_tddft/raw/02151.pt b/QM9_tddft/raw/02151.pt new file mode 100644 index 0000000000000000000000000000000000000000..3aba21f60e6f4ba1222e782bed08896fcb9d7d74 --- /dev/null +++ b/QM9_tddft/raw/02151.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de91f4b4e07eae86e8fe4df6a1c8d8d8aa3c51e4c12ff44167fd94d8e7476cf8 +size 5304594 diff --git a/QM9_tddft/raw/02158.pt b/QM9_tddft/raw/02158.pt new file mode 100644 index 0000000000000000000000000000000000000000..a7c1a15b9f02dcc05ade5739e9d9849074240874 --- /dev/null +++ b/QM9_tddft/raw/02158.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c00f473c0016cfa140850df0bbc77dd9de1f20b082d2883e76f0bb2bf62049ee +size 5615442 diff --git a/QM9_tddft/raw/02159.pt b/QM9_tddft/raw/02159.pt new file mode 100644 index 0000000000000000000000000000000000000000..a239387fa79c467b7f7285c1fb667c7d128cda15 --- /dev/null +++ b/QM9_tddft/raw/02159.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25a668fd430b07e71e896187d1365fb71c24bb125db489940a8e8a6f954db34f +size 5109778 diff --git a/QM9_tddft/raw/02162.pt b/QM9_tddft/raw/02162.pt new file mode 100644 index 0000000000000000000000000000000000000000..7c20c8d0e6e13743ef025e90fe29bd60ecd87c81 --- /dev/null +++ b/QM9_tddft/raw/02162.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:524cd14d770a0f24253bf4b91f9bc8e6af9c77c67d8f826b19e05c11a11826a4 +size 4589458 diff --git a/QM9_tddft/raw/02164.pt b/QM9_tddft/raw/02164.pt new file mode 100644 index 0000000000000000000000000000000000000000..76ab8b5c9cac7e721ced50e0afe1e679ebcadc2a --- /dev/null +++ b/QM9_tddft/raw/02164.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:090e24b4da652a2a10c0fea3e3244ddbd7c496c2b92836796f114a96e4b08fb2 +size 5109778 diff --git a/QM9_tddft/raw/02165.pt b/QM9_tddft/raw/02165.pt new file mode 100644 index 0000000000000000000000000000000000000000..bde8d778eb49e055cfce3dd710ad15318b1684b6 --- /dev/null +++ b/QM9_tddft/raw/02165.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:757ba361665a101527d910df0d39fa66afb8e32444875c8feb0828faef220e53 +size 4813650 diff --git a/QM9_tddft/raw/02186.pt b/QM9_tddft/raw/02186.pt new file mode 100644 index 0000000000000000000000000000000000000000..ce5823f1a9dbf0eb9f11d38f926cd659ca477aeb --- /dev/null +++ b/QM9_tddft/raw/02186.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f60a01112df96f29ac82a966eac55873dfb89de26843c3b081b8aad8be792060 +size 4716306 diff --git a/QM9_tddft/raw/02192.pt b/QM9_tddft/raw/02192.pt new file mode 100644 index 0000000000000000000000000000000000000000..b569443ba43c1d91bab7addc29d190956071c6be --- /dev/null +++ b/QM9_tddft/raw/02192.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3cf6795bc8d79fc32762d9c113bdc0eb95575c6c3629da79f7d91c25704d52e8 +size 4976530 diff --git a/QM9_tddft/raw/02197.pt b/QM9_tddft/raw/02197.pt new file mode 100644 index 0000000000000000000000000000000000000000..8362b7ddb7fc62ce9b55f8357bed1b2e7901c588 --- /dev/null +++ b/QM9_tddft/raw/02197.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f8164c14ed7f7dbe7a166e91c3a8ecba76bdfee3de44966cf7db7b4379c23e87 +size 5072146 diff --git a/QM9_tddft/raw/02212.pt b/QM9_tddft/raw/02212.pt new file mode 100644 index 0000000000000000000000000000000000000000..d6c8162b05e426bef44dba55e35c94346985fa88 --- /dev/null +++ b/QM9_tddft/raw/02212.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8024e41bab01f32684cb8f29e33fafecbd72c79ef1dedfd09ea36a6b5905c2a0 +size 4368978 diff --git a/QM9_tddft/raw/02217.pt b/QM9_tddft/raw/02217.pt new file mode 100644 index 0000000000000000000000000000000000000000..dccf513480e151cd3fc753fdda15aff5f2aea7a5 --- /dev/null +++ b/QM9_tddft/raw/02217.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a986f42b360484d1d96b8d68375f00b7fe58cbb6bce7d0772f8c4e27208d217c +size 4274898 diff --git a/QM9_tddft/raw/02221.pt b/QM9_tddft/raw/02221.pt new file mode 100644 index 0000000000000000000000000000000000000000..1e86c4b1b434a27253f519f26f26652c6410b008 --- /dev/null +++ b/QM9_tddft/raw/02221.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e992dfb335601d3d142c38b16564630b73c4e3d6c8ffc51c3ef5faf742c477b2 +size 4976530 diff --git a/QM9_tddft/raw/02227.pt b/QM9_tddft/raw/02227.pt new file mode 100644 index 0000000000000000000000000000000000000000..a1675531e82d25d2798490e70b3abec8d454f4a3 --- /dev/null +++ b/QM9_tddft/raw/02227.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa76c7163e30268381103e7947ceb853d8883c039e5a92ea77037b8b0766ddf1 +size 5615442 diff --git a/QM9_tddft/raw/02233.pt b/QM9_tddft/raw/02233.pt new file mode 100644 index 0000000000000000000000000000000000000000..b31eb11dacd15b7467d207608ae2c9d2c6af386c --- /dev/null +++ b/QM9_tddft/raw/02233.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d7f2cb1e5ef7fd9b27cc05ad1d6d2397f27830546816ad5455e2efd2306bed04 +size 4490130 diff --git a/QM9_tddft/raw/02238.pt b/QM9_tddft/raw/02238.pt new file mode 100644 index 0000000000000000000000000000000000000000..dba992b9679f7d7c853d194ab6ce7ba4f11992ce --- /dev/null +++ b/QM9_tddft/raw/02238.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:131b5aa32eedad8b7b78d03287c551665277f7d17c29d276cebb30901dcbb85e +size 4611346 diff --git a/QM9_tddft/raw/02240.pt b/QM9_tddft/raw/02240.pt new file mode 100644 index 0000000000000000000000000000000000000000..e0f1a8d9e2a27706a479fc29bcc821e6b4f97d2c --- /dev/null +++ b/QM9_tddft/raw/02240.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0dc55fd8223effbf4cfd00a64b3932d0b514b8121b5e0dd5dbf019faaabda58 +size 4813650 diff --git a/QM9_tddft/raw/02261.pt b/QM9_tddft/raw/02261.pt new file mode 100644 index 0000000000000000000000000000000000000000..3bf17ee078ba4d8d9c0965f8d881d17f0933cdb8 --- /dev/null +++ b/QM9_tddft/raw/02261.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ffe7c5deb554d8b8153c836b7541c2e2ddc5393a6fc02b60501b69bded36e9b +size 5277586 diff --git a/QM9_tddft/raw/02271.pt b/QM9_tddft/raw/02271.pt new file mode 100644 index 0000000000000000000000000000000000000000..4c06732011fc0522aa7502d1b353e6c0234f3389 --- /dev/null +++ b/QM9_tddft/raw/02271.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:087a7f8749fac26f3a8564328898c78e87ea5c1491c06c6d9b8d40d10fdbe2f0 +size 5587346 diff --git a/QM9_tddft/raw/02277.pt b/QM9_tddft/raw/02277.pt new file mode 100644 index 0000000000000000000000000000000000000000..e36d6ab4910d22e5b51ada8da0cf299769f66662 --- /dev/null +++ b/QM9_tddft/raw/02277.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:938257f902b9af101af89930cbb925bc91839102ef07df087268bc4fa8a4594d +size 5615442 diff --git a/QM9_tddft/raw/02279.pt b/QM9_tddft/raw/02279.pt new file mode 100644 index 0000000000000000000000000000000000000000..424e3b9cca5f6f51e2ca01eda13e2f5668a6a6ab --- /dev/null +++ b/QM9_tddft/raw/02279.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1b7661837feb44f124befd233aadcb9952a5d2cf6e466dd9acfcefb20a74aa1 +size 4651346 diff --git a/QM9_tddft/raw/02280.pt b/QM9_tddft/raw/02280.pt new file mode 100644 index 0000000000000000000000000000000000000000..b47a4ca995c8308d7fe3e95a6672bf01034ba29e --- /dev/null +++ b/QM9_tddft/raw/02280.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:319f942878eada228d856ed9de1cefa81faef89aa21e9cc0dd5da3ba0fcbfc28 +size 6109970 diff --git a/QM9_tddft/raw/02284.pt b/QM9_tddft/raw/02284.pt new file mode 100644 index 0000000000000000000000000000000000000000..51b9e4650396a948b6e8febe41ba9bd8e3b95088 --- /dev/null +++ b/QM9_tddft/raw/02284.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c90b172fbff3e10617bcb511adc382d9f6e4b6bda1c8d8c94394545e79dfbba2 +size 4813650 diff --git a/QM9_tddft/raw/02289.pt b/QM9_tddft/raw/02289.pt new file mode 100644 index 0000000000000000000000000000000000000000..0449ff92cd12ef0d84c794c3f70375ea85639170 --- /dev/null +++ b/QM9_tddft/raw/02289.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e36caf3372f5f5d0e1bd28f1ff888566972ae39f673feaf0fa1055f3a88e7e +size 5140242 diff --git a/QM9_tddft/raw/02291.pt b/QM9_tddft/raw/02291.pt new file mode 100644 index 0000000000000000000000000000000000000000..d5a041992e0fab663b2ec36d6d7eaa6e08cbf6e3 --- /dev/null +++ b/QM9_tddft/raw/02291.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d098b74914c7c7beec63956593743ef99c3046fd76c1af4f3c107915a9ed3578 +size 5140242 diff --git a/QM9_tddft/raw/02295.pt b/QM9_tddft/raw/02295.pt new file mode 100644 index 0000000000000000000000000000000000000000..ca07b4e2a469f5860a78e6afb00ec3e1080db819 --- /dev/null +++ b/QM9_tddft/raw/02295.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:268838010edb83d208607a703878226db703833a4835c9f4e991a45f13623e6a +size 5760850 diff --git a/QM9_tddft/raw/02318.pt b/QM9_tddft/raw/02318.pt new file mode 100644 index 0000000000000000000000000000000000000000..d6976b12514ed4747c12d12a7a333a9651de6c98 --- /dev/null +++ b/QM9_tddft/raw/02318.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f277def098dec2fdbee3407fbf4eec379808aaa65ea0478ae8d1b3a400ce88f7 +size 5445970 diff --git a/QM9_tddft/raw/02326.pt b/QM9_tddft/raw/02326.pt new file mode 100644 index 0000000000000000000000000000000000000000..d879e5a6c23a01809f32ebc30e59e7ce3eecb491 --- /dev/null +++ b/QM9_tddft/raw/02326.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b44209765f8053d02c13b0282bea576a5a1884626794db18eaac643fc6038e7 +size 4526098 diff --git a/QM9_tddft/raw/02342.pt b/QM9_tddft/raw/02342.pt new file mode 100644 index 0000000000000000000000000000000000000000..79ed6596911149cd4235709b58f2628e5e03954b --- /dev/null +++ b/QM9_tddft/raw/02342.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba18cdc88b61e0ed5ad267fcf214cc24986bf7539e74b56da206a4cd1651d8ea +size 5277586 diff --git a/QM9_tddft/raw/02344.pt b/QM9_tddft/raw/02344.pt new file mode 100644 index 0000000000000000000000000000000000000000..cf54c294709812178dec4d8c5edf45fcf5e11f07 --- /dev/null +++ b/QM9_tddft/raw/02344.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da2fe333556d96c213bd27c54ed89ce29468f6b49863cc7a8409c59deaf21004 +size 4156050 diff --git a/QM9_tddft/raw/02346.pt b/QM9_tddft/raw/02346.pt new file mode 100644 index 0000000000000000000000000000000000000000..412ba520506118dfdc3d05a3d1a8fa843014b178 --- /dev/null +++ b/QM9_tddft/raw/02346.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99256d16f64c9aa46ff60bc80a80c9a03bd833f4cddf9392df5c94963f1f62b4 +size 3546322 diff --git a/QM9_tddft/raw/02353.pt b/QM9_tddft/raw/02353.pt new file mode 100644 index 0000000000000000000000000000000000000000..de77868ca3bc119e1a23a79e205e5240645388eb --- /dev/null +++ b/QM9_tddft/raw/02353.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:44fe8c06942efcf27fcc346902a6b80e489cb24fcd78f6285589293aaab0ef64 +size 4156050 diff --git a/QM9_tddft/raw/02355.pt b/QM9_tddft/raw/02355.pt new file mode 100644 index 0000000000000000000000000000000000000000..cc6e408fe0954128c47ee6c7b382a6ed6085caff --- /dev/null +++ b/QM9_tddft/raw/02355.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f91de95160219fb58854555a20f6b729ed20fc4f360b893a8646e92147099e9 +size 4462482 diff --git a/QM9_tddft/raw/02356.pt b/QM9_tddft/raw/02356.pt new file mode 100644 index 0000000000000000000000000000000000000000..1d8e5aa7822f7d48248e4b12e80843a1cb002e4b --- /dev/null +++ b/QM9_tddft/raw/02356.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15bf7f622edaf8799b6a27780b080de24a8a916b2811483c388d6659da9f2589 +size 5587346 diff --git a/QM9_tddft/raw/02382.pt b/QM9_tddft/raw/02382.pt new file mode 100644 index 0000000000000000000000000000000000000000..b01e0cbd37ed7973117a21561bc3dd3ee3c43898 --- /dev/null +++ b/QM9_tddft/raw/02382.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:205c956085fa840fe1499d740bf25d3daa4f3beb932192f68beeb8720702d883 +size 5587346 diff --git a/QM9_tddft/raw/02384.pt b/QM9_tddft/raw/02384.pt new file mode 100644 index 0000000000000000000000000000000000000000..afc09903bf8054d3e34df3c4ea07b4cdb858b3f2 --- /dev/null +++ b/QM9_tddft/raw/02384.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fb17c30147094db40c1fe77bed8a9b165ac7dafcbe07b7a412fe116e4e658c9 +size 3742546 diff --git a/QM9_tddft/raw/02399.pt b/QM9_tddft/raw/02399.pt new file mode 100644 index 0000000000000000000000000000000000000000..58b11c37721b6a3f367f991f26d81e69bccce5ca --- /dev/null +++ b/QM9_tddft/raw/02399.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c6919bf6af9b0a18c7b954eef5a26b2c6443dc16b2657009d5280698115c5941 +size 5470034 diff --git a/QM9_tddft/raw/02400.pt b/QM9_tddft/raw/02400.pt new file mode 100644 index 0000000000000000000000000000000000000000..d6ec7eb4c5c689c51af2427f32f4e1e7228b5c7e --- /dev/null +++ b/QM9_tddft/raw/02400.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9897cb0473bf6e638a7b891afffd830d09f150fe6fc9f7a80874201348648bef +size 6443282 diff --git a/QM9_tddft/raw/02401.pt b/QM9_tddft/raw/02401.pt new file mode 100644 index 0000000000000000000000000000000000000000..383472da43fdd1db10581da10c10babcb1d5e794 --- /dev/null +++ b/QM9_tddft/raw/02401.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1bb977f56552efc09655c1692b5a51611dd3454828edaaaf3bade1137cc8cc9e +size 6109970 diff --git a/QM9_tddft/raw/02403.pt b/QM9_tddft/raw/02403.pt new file mode 100644 index 0000000000000000000000000000000000000000..dfd26c07c4f1c23e655d92f66e773f0c5b8a04fc --- /dev/null +++ b/QM9_tddft/raw/02403.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2060b5d14ca3c7c30313661ad94e2cbfa7e0336916240aae5d9d20e6c25b4063 +size 4121554 diff --git a/QM9_tddft/raw/02405.pt b/QM9_tddft/raw/02405.pt new file mode 100644 index 0000000000000000000000000000000000000000..91271156219434557961c67e6191d0e4d86b8c2f --- /dev/null +++ b/QM9_tddft/raw/02405.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:98ec86fee2c8d5718d7b283c6e22927c709a1009c75e86255fcb5ebefe678956 +size 5109778 diff --git a/QM9_tddft/raw/02422.pt b/QM9_tddft/raw/02422.pt new file mode 100644 index 0000000000000000000000000000000000000000..63fc2cac22bcddcb7dfb36662c47a71f7473b45b --- /dev/null +++ b/QM9_tddft/raw/02422.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6995d8e28e1aabeffeb5818e5e46233c5b7be615ea5de49b54cec0257e052cf8 +size 5445970 diff --git a/QM9_tddft/raw/02425.pt b/QM9_tddft/raw/02425.pt new file mode 100644 index 0000000000000000000000000000000000000000..a3c0ecba220ff8e5388342a61ece0e41f7432a0a --- /dev/null +++ b/QM9_tddft/raw/02425.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7617ff7a1c24b108bcec3d720453f7e98b3a9fa53067bca2a3c79dafddda284b +size 4813650 diff --git a/QM9_tddft/raw/02427.pt b/QM9_tddft/raw/02427.pt new file mode 100644 index 0000000000000000000000000000000000000000..546dc1a68a36bb4d58b242205948bc34c8c6b81c --- /dev/null +++ b/QM9_tddft/raw/02427.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0581a4db889289eaf9969301be8215e0aa543b7a0023955d80cd83ea1478b5af +size 5760850 diff --git a/QM9_tddft/raw/02437.pt b/QM9_tddft/raw/02437.pt new file mode 100644 index 0000000000000000000000000000000000000000..cef16a053b1b2707f88b4999e79301b758435cf5 --- /dev/null +++ b/QM9_tddft/raw/02437.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:908d6da66ab693d9936c1f1c909feea365660c9b491a84bb117538b767c35221 +size 6109970 diff --git a/QM9_tddft/raw/02439.pt b/QM9_tddft/raw/02439.pt new file mode 100644 index 0000000000000000000000000000000000000000..d6eda2d407075738991a61049c2520fbc5aae67e --- /dev/null +++ b/QM9_tddft/raw/02439.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2252f2fde706ce691b39adbf0d4467508694a6202569936877574279c3e1990a +size 6263570 diff --git a/QM9_tddft/raw/02447.pt b/QM9_tddft/raw/02447.pt new file mode 100644 index 0000000000000000000000000000000000000000..ea5f8b8b41a7e920c632307755a4fb47895fa0e6 --- /dev/null +++ b/QM9_tddft/raw/02447.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8239ce29ee853cf918a6e0b84e43f8599be60035c2aade97b8873248e01e729 +size 3976530 diff --git a/QM9_tddft/raw/02453.pt b/QM9_tddft/raw/02453.pt new file mode 100644 index 0000000000000000000000000000000000000000..7df1159c49efaf417f99a270f4ee98af76171f93 --- /dev/null +++ b/QM9_tddft/raw/02453.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15b0bd640e6722ee8ca656bd3376dfe8b4de99867afbb64889844fe8104f9d7c +size 5277586 diff --git a/QM9_tddft/raw/02454.pt b/QM9_tddft/raw/02454.pt new file mode 100644 index 0000000000000000000000000000000000000000..e3f6d9f145d4861133d7c2e861f030d1d968c813 --- /dev/null +++ b/QM9_tddft/raw/02454.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:177668ed10085fd4e6dc30517dc2a07faa02e6f266ce675007cb0e57c600bcad +size 6987794 diff --git a/QM9_tddft/raw/02458.pt b/QM9_tddft/raw/02458.pt new file mode 100644 index 0000000000000000000000000000000000000000..673bfe58a8ffb958fd7e507daa295c64668f812a --- /dev/null +++ b/QM9_tddft/raw/02458.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afc7619173831ab0cff1c7a83a313c9db75bae904c5651f681e3f5fd0e184d1b +size 5109778 diff --git a/QM9_tddft/raw/02459.pt b/QM9_tddft/raw/02459.pt new file mode 100644 index 0000000000000000000000000000000000000000..be162ecff258185543d7f5b5617b1d647dee9731 --- /dev/null +++ b/QM9_tddft/raw/02459.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3089f823802a908e8c939efeba569140e76a66cd50e7cac09b00bec0cbe6b3f1 +size 5277586 diff --git a/QM9_tddft/raw/02460.pt b/QM9_tddft/raw/02460.pt new file mode 100644 index 0000000000000000000000000000000000000000..de4705bac9259714b1401647e73b746bcaed725d --- /dev/null +++ b/QM9_tddft/raw/02460.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb2d0dba93ed2fff6a5b2a8589c934abd9f622ee9e5820898320d5db295f72c3 +size 4348498 diff --git a/QM9_tddft/raw/02463.pt b/QM9_tddft/raw/02463.pt new file mode 100644 index 0000000000000000000000000000000000000000..9e9265ce9230407057da40a550d49aedec2b0ece --- /dev/null +++ b/QM9_tddft/raw/02463.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa05888a974071ffb73440843eff8c02295accb093e331c68f55341cc3551da6 +size 4490130 diff --git a/QM9_tddft/raw/02465.pt b/QM9_tddft/raw/02465.pt new file mode 100644 index 0000000000000000000000000000000000000000..a2391ef8c3975778a5fda10a9fd04a2539035b6b --- /dev/null +++ b/QM9_tddft/raw/02465.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8cc84b9ea049c97c3719dfb3cac96cdcddc63ba70e71e751393c8d0d7d1b007a +size 4651346 diff --git a/QM9_tddft/raw/02466.pt b/QM9_tddft/raw/02466.pt new file mode 100644 index 0000000000000000000000000000000000000000..a25ab9d7d1fe5b7d379a3627113c3225c1b11af0 --- /dev/null +++ b/QM9_tddft/raw/02466.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f7c9fc236dd5a6ad1478128dd50b94300ede69d5c346f8cd8208262adb4c083 +size 4490130 diff --git a/QM9_tddft/raw/02467.pt b/QM9_tddft/raw/02467.pt new file mode 100644 index 0000000000000000000000000000000000000000..6312cae8eb0d3fe2fcef52f0de21541a09d0492a --- /dev/null +++ b/QM9_tddft/raw/02467.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a66feff21de405eea2716d6e888803eb2e1cc9b8ca47eb475f765219fc876bd1 +size 5760850 diff --git a/QM9_tddft/raw/02470.pt b/QM9_tddft/raw/02470.pt new file mode 100644 index 0000000000000000000000000000000000000000..1e817090b03776bce34bc3f488e6ec4ab6696ffc --- /dev/null +++ b/QM9_tddft/raw/02470.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c54ad1850b15ad19812265d1d4a2a7adede185489ccbd78c0b776e2bb84b63a9 +size 4942866 diff --git a/QM9_tddft/raw/02472.pt b/QM9_tddft/raw/02472.pt new file mode 100644 index 0000000000000000000000000000000000000000..e5cfc87b1e55eba8bec6ca6456b76c44c1892c23 --- /dev/null +++ b/QM9_tddft/raw/02472.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af3baf693284adb17332390806144d3f43d5d4bbabfc6d66133c423181ed7906 +size 5414930 diff --git a/QM9_tddft/raw/02474.pt b/QM9_tddft/raw/02474.pt new file mode 100644 index 0000000000000000000000000000000000000000..69afe0d47d814f5bc9515d687d8215da53e91fd0 --- /dev/null +++ b/QM9_tddft/raw/02474.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd512fcb8804964ad83ba18d26c6d1fa6295920e4527ae2aed6201295ae8cc63 +size 4843218 diff --git a/QM9_tddft/raw/02478.pt b/QM9_tddft/raw/02478.pt new file mode 100644 index 0000000000000000000000000000000000000000..49027086c572d2c80fb9787449af9063c50a699d --- /dev/null +++ b/QM9_tddft/raw/02478.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0628ae861e54e29750dc2fd0ca3877d484d56fe97d3868724e1feedb66c673ba +size 3742546 diff --git a/QM9_tddft/raw/02480.pt b/QM9_tddft/raw/02480.pt new file mode 100644 index 0000000000000000000000000000000000000000..2fe3135cafa11c04e3c1f7cdabdf413998b92ade --- /dev/null +++ b/QM9_tddft/raw/02480.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad3dad0dcaa9060351011304b209641ffcdd179a4f7004b4d3cda5f2df215014 +size 4004178 diff --git a/QM9_tddft/raw/02485.pt b/QM9_tddft/raw/02485.pt new file mode 100644 index 0000000000000000000000000000000000000000..3b57c2b29c8db2ee8c8412f4d1cc70b5260c7abd --- /dev/null +++ b/QM9_tddft/raw/02485.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5600a2362972bf7c4d4d0a124bd51f70afd5e799ac97d6ee46b5855eb6c49810 +size 5002898 diff --git a/QM9_tddft/raw/02496.pt b/QM9_tddft/raw/02496.pt new file mode 100644 index 0000000000000000000000000000000000000000..35f705300386f796d3ce9b6a083791f7ac4f085b --- /dev/null +++ b/QM9_tddft/raw/02496.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15d51b051351a85afde8391c3bb85c363e2b76c171cc90b7b433512fb1524276 +size 3546322 diff --git a/QM9_tddft/raw/02512.pt b/QM9_tddft/raw/02512.pt new file mode 100644 index 0000000000000000000000000000000000000000..896ebb579b489a735b1451b882f84b30c3f5ab58 --- /dev/null +++ b/QM9_tddft/raw/02512.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df2875d6aec1b568b984f774acec33fb1ef56a84c121b146e4543fe97826ceba +size 4651346 diff --git a/QM9_tddft/raw/02513.pt b/QM9_tddft/raw/02513.pt new file mode 100644 index 0000000000000000000000000000000000000000..30ef76a57f318abb8bbf103e8c3e8720b6d8efe2 --- /dev/null +++ b/QM9_tddft/raw/02513.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e1482d969d1755dd4523c42dca33ec92f519e97214f2de2317ec1c76cab8db3 +size 4651346 diff --git a/QM9_tddft/raw/02520.pt b/QM9_tddft/raw/02520.pt new file mode 100644 index 0000000000000000000000000000000000000000..25b6063ea829a02d347423d89e47c3ec229ca0a3 --- /dev/null +++ b/QM9_tddft/raw/02520.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52d54ba37f66317cd5183bfc801a098b905f641997359a60dccf58b5ceb1f39f +size 4056978 diff --git a/QM9_tddft/raw/02524.pt b/QM9_tddft/raw/02524.pt new file mode 100644 index 0000000000000000000000000000000000000000..3ed5f2d463d8a8d77a06da677c04e3a83f9b343c --- /dev/null +++ b/QM9_tddft/raw/02524.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2719e4286b04633195e1f6a168243093e273331113b4aecf686ade156915ef14 +size 5934994 diff --git a/QM9_tddft/raw/02526.pt b/QM9_tddft/raw/02526.pt new file mode 100644 index 0000000000000000000000000000000000000000..f5aadfd7324d3fc14b032d6763f24380e7aa55c1 --- /dev/null +++ b/QM9_tddft/raw/02526.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0d2272c32129472d333750c6cc0c38be9a1c6f8999a16c0aca672084f8af64d +size 4462482 diff --git a/QM9_tddft/raw/02527.pt b/QM9_tddft/raw/02527.pt new file mode 100644 index 0000000000000000000000000000000000000000..a6f0a9c2739236288ffb149d9e284f2dac761ccf --- /dev/null +++ b/QM9_tddft/raw/02527.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a48735e61bceb7ca48173063c7ccd058938a1981fce325dd4b6855731b01d70 +size 4037394 diff --git a/QM9_tddft/raw/02532.pt b/QM9_tddft/raw/02532.pt new file mode 100644 index 0000000000000000000000000000000000000000..7c0d9165e12c8be8f40a0b0166f539cb4ab2534c --- /dev/null +++ b/QM9_tddft/raw/02532.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18a088ae2cd981c4d4425a1c824bbde7fd4a761a72470f799878b985568c1e23 +size 5277586 diff --git a/QM9_tddft/raw/02538.pt b/QM9_tddft/raw/02538.pt new file mode 100644 index 0000000000000000000000000000000000000000..df9e7afa70dcfdbe5a254d3f052af96b56949bca --- /dev/null +++ b/QM9_tddft/raw/02538.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b22e1954df791b1db4407b60f227044b4b99c9ecb2a48363b9119f4fee1f881b +size 3438162 diff --git a/QM9_tddft/raw/02542.pt b/QM9_tddft/raw/02542.pt new file mode 100644 index 0000000000000000000000000000000000000000..a15d6820078a31abb5dd7e94f07a12989189a0f2 --- /dev/null +++ b/QM9_tddft/raw/02542.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93a240ef13916a04291d4b11d766ca96dce0744d981eac92b340ebd4009030c6 +size 5934994 diff --git a/QM9_tddft/raw/02551.pt b/QM9_tddft/raw/02551.pt new file mode 100644 index 0000000000000000000000000000000000000000..9969ef0e21a0e77b61a66b9d896a687f6049838b --- /dev/null +++ b/QM9_tddft/raw/02551.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:328596fccb37e8e137189f6a38314b153530a1e69355e766dd6c99a6a4bc00c0 +size 6624082 diff --git a/QM9_tddft/raw/02553.pt b/QM9_tddft/raw/02553.pt new file mode 100644 index 0000000000000000000000000000000000000000..00772d155e1d194f8f1ae372f83aaa0df5fb05d4 --- /dev/null +++ b/QM9_tddft/raw/02553.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af61766adb2e7d30066e2bd63dbe24e6e3417b2355c63c0e4475903dd0216a35 +size 4776530 diff --git a/QM9_tddft/raw/02558.pt b/QM9_tddft/raw/02558.pt new file mode 100644 index 0000000000000000000000000000000000000000..ed46b4c504725b964e33ac11415d94da1ae32f64 --- /dev/null +++ b/QM9_tddft/raw/02558.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22959dd1c6ca7449a689470293bfae0e5f742b1fad18e8dc5a1e9de1c706222e +size 4843218 diff --git a/QM9_tddft/raw/02559.pt b/QM9_tddft/raw/02559.pt new file mode 100644 index 0000000000000000000000000000000000000000..f5ad13d841dd41595e9cc4e156e1ce078c0f9b99 --- /dev/null +++ b/QM9_tddft/raw/02559.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6714afe821579cd383cf106f33ed4b5c4a2019aeb4b27e39cfd7319fb6f25ce0 +size 5587346 diff --git a/QM9_tddft/raw/02561.pt b/QM9_tddft/raw/02561.pt new file mode 100644 index 0000000000000000000000000000000000000000..939c1586e942a11c1a596576e3586d6f6ae5168f --- /dev/null +++ b/QM9_tddft/raw/02561.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c830f87190e9ee4f91797a7cbd445c29c3946a67bca4afa0ea67517beca10ef5 +size 6109970 diff --git a/QM9_tddft/raw/02562.pt b/QM9_tddft/raw/02562.pt new file mode 100644 index 0000000000000000000000000000000000000000..0aca3b90812d38c575c9f18fcdd1f8d9a7abc158 --- /dev/null +++ b/QM9_tddft/raw/02562.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:569c619b57c5d12146e0236b72550b772289661c8f8bede15dfc861e7fc0558b +size 5760850 diff --git a/QM9_tddft/raw/02572.pt b/QM9_tddft/raw/02572.pt new file mode 100644 index 0000000000000000000000000000000000000000..96bf8f670c138fafda9afa5db58edb4bd0c56d56 --- /dev/null +++ b/QM9_tddft/raw/02572.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21fc9b4da20012e8f8fbf219af9e36356c61f6a86d6e64416e12719dc58def79 +size 5615442 diff --git a/QM9_tddft/raw/02573.pt b/QM9_tddft/raw/02573.pt new file mode 100644 index 0000000000000000000000000000000000000000..726bfb6315b79d33d0977892b6f9b6ab3358d472 --- /dev/null +++ b/QM9_tddft/raw/02573.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b94f1968da7e64f91ca83bec25f863453d9efe306775ae480a5ba26b8499ac21 +size 5140242 diff --git a/QM9_tddft/raw/02577.pt b/QM9_tddft/raw/02577.pt new file mode 100644 index 0000000000000000000000000000000000000000..912c28c3a92060c8b892742b7ddc4b8e546d0c9b --- /dev/null +++ b/QM9_tddft/raw/02577.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8dda9e64c471fff441e1af642f55b1a070bee29a14eeadf6baaacbb23121e276 +size 4813650 diff --git a/QM9_tddft/raw/02581.pt b/QM9_tddft/raw/02581.pt new file mode 100644 index 0000000000000000000000000000000000000000..2fd78b1da6fd31bac28d072ebbfe725f2a991596 --- /dev/null +++ b/QM9_tddft/raw/02581.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d180b8335e1e0d1c1d4f60fb963501b78906e7de750fb3683957dfe5812d36e +size 5109778 diff --git a/QM9_tddft/raw/02598.pt b/QM9_tddft/raw/02598.pt new file mode 100644 index 0000000000000000000000000000000000000000..554ed37db6fc9a5e0875d9bae98ce8db57586860 --- /dev/null +++ b/QM9_tddft/raw/02598.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b03a3c3796a9aad59d04ae8ed8607f02a3dea13c53c6a9d7244d39945e05094 +size 4462482 diff --git a/QM9_tddft/raw/02599.pt b/QM9_tddft/raw/02599.pt new file mode 100644 index 0000000000000000000000000000000000000000..cfc446e10e7607d7d592014067b4b88b775b78fe --- /dev/null +++ b/QM9_tddft/raw/02599.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4714829be8687b43694266709e90ec946d5adb96378cdd62fbd18a0eb781e1a2 +size 5277586 diff --git a/QM9_tddft/raw/02611.pt b/QM9_tddft/raw/02611.pt new file mode 100644 index 0000000000000000000000000000000000000000..34cf3bb60f357ffd75621540ed4e6969c90a0fc7 --- /dev/null +++ b/QM9_tddft/raw/02611.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06d7b9035077beec62e6af7da36c101ecb09979b7b0dc6629c2d09e5c40d1235 +size 2631762 diff --git a/QM9_tddft/raw/02628.pt b/QM9_tddft/raw/02628.pt new file mode 100644 index 0000000000000000000000000000000000000000..b74e3fdac56b89a6f2a2ea908963755866798a48 --- /dev/null +++ b/QM9_tddft/raw/02628.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d745b48fadb02c9abdc82f5b63cff99faf0de181899399f7d1aada410fcc210 +size 4976530 diff --git a/QM9_tddft/raw/02630.pt b/QM9_tddft/raw/02630.pt new file mode 100644 index 0000000000000000000000000000000000000000..698e8ccb3ab56520fe943d460366f66545eff9d3 --- /dev/null +++ b/QM9_tddft/raw/02630.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b924026ddc7139ac9fe701b367d0472575c9aefc1848823282ea2dfdbd92b56 +size 5277586 diff --git a/QM9_tddft/raw/02631.pt b/QM9_tddft/raw/02631.pt new file mode 100644 index 0000000000000000000000000000000000000000..c0e3c7e0a95992ca5855615660bf5a0818e46682 --- /dev/null +++ b/QM9_tddft/raw/02631.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:618ccb222507cfeefcb4fa510fef9e4ac704ff687df98f46a6d5383a944e2877 +size 4212498 diff --git a/QM9_tddft/raw/02633.pt b/QM9_tddft/raw/02633.pt new file mode 100644 index 0000000000000000000000000000000000000000..68308e59633ea920b97776e8c7eb7555a1142c75 --- /dev/null +++ b/QM9_tddft/raw/02633.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a8d9830590bad04fc448e39e578fcb235f7e2dc74457483cc5f5a4a7c21c3a4 +size 4526098 diff --git a/QM9_tddft/raw/02637.pt b/QM9_tddft/raw/02637.pt new file mode 100644 index 0000000000000000000000000000000000000000..89cc40b2c6f3e9b3d3cb1446413b83bb89064b65 --- /dev/null +++ b/QM9_tddft/raw/02637.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7fa86c87b14339f4538ad536e5858c146fedc8a22c4556a33ae6eea4e0822032 +size 4212498 diff --git a/QM9_tddft/raw/02641.pt b/QM9_tddft/raw/02641.pt new file mode 100644 index 0000000000000000000000000000000000000000..ee9a8b00d28595848a6896a2d3bf68903d35f51b --- /dev/null +++ b/QM9_tddft/raw/02641.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b7ce1f744dc043039a175c896c2f233a79a2259c0091a8003ea4616b942540c +size 4368978 diff --git a/QM9_tddft/raw/02644.pt b/QM9_tddft/raw/02644.pt new file mode 100644 index 0000000000000000000000000000000000000000..e0a1f9a6b439ab362449e872cfe5f8d15d584a7d --- /dev/null +++ b/QM9_tddft/raw/02644.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab1af33de59504e63c5191a5e4edafc8929d878e14f9d085cecef74a28a77689 +size 2931090 diff --git a/QM9_tddft/raw/02651.pt b/QM9_tddft/raw/02651.pt new file mode 100644 index 0000000000000000000000000000000000000000..cdda1eda49a69da6df283547a30d4e166a87fdd6 --- /dev/null +++ b/QM9_tddft/raw/02651.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b16cc67d2caf8c7765c971bba28ba7034ed7a4f58c922c6435e5ee3df6ebf573 +size 5760850 diff --git a/QM9_tddft/raw/02659.pt b/QM9_tddft/raw/02659.pt new file mode 100644 index 0000000000000000000000000000000000000000..12cd4dc8849593107c40852922e8292c82a273c5 --- /dev/null +++ b/QM9_tddft/raw/02659.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:004e3bac16963722edff1cfa2f5d536468e75032a499a52b89095a088adfeaf4 +size 5304594 diff --git a/QM9_tddft/raw/02665.pt b/QM9_tddft/raw/02665.pt new file mode 100644 index 0000000000000000000000000000000000000000..a318bf8d42cc6e6cb3548c7ba45898179f8aa6e2 --- /dev/null +++ b/QM9_tddft/raw/02665.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f58bbb04186560c4cf122192f5545ab778477ff686a00999a2c314f13daafab +size 4368978 diff --git a/QM9_tddft/raw/02669.pt b/QM9_tddft/raw/02669.pt new file mode 100644 index 0000000000000000000000000000000000000000..d768778e3c3d345cf5805e2a3c162821329097f0 --- /dev/null +++ b/QM9_tddft/raw/02669.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35f866bf2a04872c6e6f7b5d29e58701b06452b54b4c670d26df2021a5fad32e +size 5109778 diff --git a/QM9_tddft/raw/02672.pt b/QM9_tddft/raw/02672.pt new file mode 100644 index 0000000000000000000000000000000000000000..2945c3210e92af675d159d1d299f320928e606de --- /dev/null +++ b/QM9_tddft/raw/02672.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:516e19ae07e508b59a569d863904abc23c85a75531848382c838faafd5751d85 +size 5934994 diff --git a/QM9_tddft/raw/02674.pt b/QM9_tddft/raw/02674.pt new file mode 100644 index 0000000000000000000000000000000000000000..862c299f98b917b41f3301288f7adbedf79dd8e2 --- /dev/null +++ b/QM9_tddft/raw/02674.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8f92dae07ff47edec0434c1693e49e8311b1b5be4648376aa3cfbca1bdb00e6 +size 5587346 diff --git a/QM9_tddft/raw/02678.pt b/QM9_tddft/raw/02678.pt new file mode 100644 index 0000000000000000000000000000000000000000..4d80734acb5df613ff4ff45287002871d1d77d56 --- /dev/null +++ b/QM9_tddft/raw/02678.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:482b09495ed81f95d3e86eeef11f5140aed9df72ec7604e815830ad5204e8d80 +size 5277586 diff --git a/QM9_tddft/raw/02690.pt b/QM9_tddft/raw/02690.pt new file mode 100644 index 0000000000000000000000000000000000000000..cea80a28399215d2fc137f8da939f0b25808427f --- /dev/null +++ b/QM9_tddft/raw/02690.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8554786100c6440d77e78120dd403f9f5c32309fb553bce82c5e8d82ccf3454d +size 4490130 diff --git a/QM9_tddft/raw/02691.pt b/QM9_tddft/raw/02691.pt new file mode 100644 index 0000000000000000000000000000000000000000..1daa724f557eb4ce965655c92295e65640981635 --- /dev/null +++ b/QM9_tddft/raw/02691.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b196ab0e1c1f85387356a0e9e717b95b484d9a2ce2e3b5bf55944e79ac6ecae1 +size 4368978 diff --git a/QM9_tddft/raw/02696.pt b/QM9_tddft/raw/02696.pt new file mode 100644 index 0000000000000000000000000000000000000000..49d6d45502b44f5ee4316deaf0d0208720b90ffe --- /dev/null +++ b/QM9_tddft/raw/02696.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:75407652fd524688ee5c619159da981fcad2d99508acaebbfd46a50be68656ab +size 5140242 diff --git a/QM9_tddft/raw/02698.pt b/QM9_tddft/raw/02698.pt new file mode 100644 index 0000000000000000000000000000000000000000..5468170c3479d94de690a63bb13d080d66b8b42e --- /dev/null +++ b/QM9_tddft/raw/02698.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62f23c254869b72996c1ffb888a108e8ef15dd65cfd0bcef5b0425f5935e9dce +size 4976530 diff --git a/QM9_tddft/raw/02702.pt b/QM9_tddft/raw/02702.pt new file mode 100644 index 0000000000000000000000000000000000000000..5987e0b5c68758edf088532355b890ce6c526523 --- /dev/null +++ b/QM9_tddft/raw/02702.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18150a7a249b45eaedaae4cb0526d7618c3d5389867a7ac9c697b061ec1b5f27 +size 5760850 diff --git a/QM9_tddft/raw/02705.pt b/QM9_tddft/raw/02705.pt new file mode 100644 index 0000000000000000000000000000000000000000..7f4df836b1c401c1c135b56037b6100c7c6fe957 --- /dev/null +++ b/QM9_tddft/raw/02705.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c08e3e1813bcce62e7e3d3da822a40fee68930cb4507cdb089b617bceaa30a71 +size 5615442 diff --git a/QM9_tddft/raw/02714.pt b/QM9_tddft/raw/02714.pt new file mode 100644 index 0000000000000000000000000000000000000000..5193bf9b5b1ba58bed177e8806662cd828103af2 --- /dev/null +++ b/QM9_tddft/raw/02714.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1d3b2ee1b0e987aa33362e2a06d011af8480a892b475069743c0279fbd6859a +size 5445970 diff --git a/QM9_tddft/raw/02718.pt b/QM9_tddft/raw/02718.pt new file mode 100644 index 0000000000000000000000000000000000000000..6b0591970def7cd835369159f3eb79680550089f --- /dev/null +++ b/QM9_tddft/raw/02718.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:505cdd91fcf20fa154459b017abebbba60bf49c902bf6049b2ee4798a49ab0e6 +size 5470034 diff --git a/QM9_tddft/raw/02733.pt b/QM9_tddft/raw/02733.pt new file mode 100644 index 0000000000000000000000000000000000000000..7f60ed23785c193752a724d90d97fb58db5cec3f --- /dev/null +++ b/QM9_tddft/raw/02733.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:97d987a8fbb2dd4b18de2398cfc9fcfeedafd83f2a6f62b427965169996e2f7d +size 4813650 diff --git a/QM9_tddft/raw/02740.pt b/QM9_tddft/raw/02740.pt new file mode 100644 index 0000000000000000000000000000000000000000..6b2c987e438f0eb21270fdf0f97ea52489a5943b --- /dev/null +++ b/QM9_tddft/raw/02740.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aff7cc2bf42ec5634474276b609be9c8ef4976aa63c5c608bd7015ec6b84edad +size 5760850 diff --git a/QM9_tddft/raw/02742.pt b/QM9_tddft/raw/02742.pt new file mode 100644 index 0000000000000000000000000000000000000000..b02d037668c811fdda0d4ee34d8cd18c1652e5ef --- /dev/null +++ b/QM9_tddft/raw/02742.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:929206405fff41f5c80c6704e781cc95b13a716763da4e398d328fea3af2b847 +size 4813650 diff --git a/QM9_tddft/raw/02743.pt b/QM9_tddft/raw/02743.pt new file mode 100644 index 0000000000000000000000000000000000000000..216a1dc357e458f21bd5d2f5dbb1b975dfa7078d --- /dev/null +++ b/QM9_tddft/raw/02743.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd1a53d9548fe5aba3476b28fcbddde0db57a1dcc2bf2196958e0774796c966d +size 4368978 diff --git a/QM9_tddft/raw/02744.pt b/QM9_tddft/raw/02744.pt new file mode 100644 index 0000000000000000000000000000000000000000..7b249f63007e689a41c05e401964546171a1080a --- /dev/null +++ b/QM9_tddft/raw/02744.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c12f73ff32ca26bcb682305d16661c10d22f646c523ef447e0973fc60c276a95 +size 4526098 diff --git a/QM9_tddft/raw/02751.pt b/QM9_tddft/raw/02751.pt new file mode 100644 index 0000000000000000000000000000000000000000..a103d6f5c4f6268ddcf62cdad16070c471a1a4e5 --- /dev/null +++ b/QM9_tddft/raw/02751.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c09f4b220bb33fa2385233610438f5037f3da19437bd471afbdcf41a2bc44c1d +size 6462354 diff --git a/QM9_tddft/raw/02756.pt b/QM9_tddft/raw/02756.pt new file mode 100644 index 0000000000000000000000000000000000000000..5063e4b161061071e0a031072ed3e18a3f8d4f13 --- /dev/null +++ b/QM9_tddft/raw/02756.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:613e90305ee3473dfa28f018a805733f149c6c2e6332b363ba7408cd983ad93d +size 5041810 diff --git a/QM9_tddft/raw/02785.pt b/QM9_tddft/raw/02785.pt new file mode 100644 index 0000000000000000000000000000000000000000..06d3843b049c093ec060fc7a690b50d795f7c432 --- /dev/null +++ b/QM9_tddft/raw/02785.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de6c6a7cbd28dd3e2313732f9a4b7164b6f18725f9a2069b96f84c2594d3764c +size 4490130 diff --git a/QM9_tddft/raw/02807.pt b/QM9_tddft/raw/02807.pt new file mode 100644 index 0000000000000000000000000000000000000000..20f45808562e1f5893d6a046105fc6973b4c6013 --- /dev/null +++ b/QM9_tddft/raw/02807.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ccd29873ebf66c76529e736d60ceff3bdf1c91d8074766cdd25dcf42a273d7dc +size 5615442 diff --git a/QM9_tddft/raw/02808.pt b/QM9_tddft/raw/02808.pt new file mode 100644 index 0000000000000000000000000000000000000000..33b871e9f4e12eb378fd4566893244f4e846dbb6 --- /dev/null +++ b/QM9_tddft/raw/02808.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63e5bfe6d74ef97a2f17cc6fbeb1b19926b98fbd47c00c5e46e0026fc8bc2114 +size 4526098 diff --git a/QM9_tddft/raw/02810.pt b/QM9_tddft/raw/02810.pt new file mode 100644 index 0000000000000000000000000000000000000000..b3b54cdc4fc3eb9ecd75e67aed555a2f3c324262 --- /dev/null +++ b/QM9_tddft/raw/02810.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:752b1175957c26cf3ed37071ec63a45c3d900a707cee64d4ac4c758b3f2b7a93 +size 4308946 diff --git a/QM9_tddft/raw/02817.pt b/QM9_tddft/raw/02817.pt new file mode 100644 index 0000000000000000000000000000000000000000..2b4e516fd57eca32cd26f5422a32cba8a9c74cd3 --- /dev/null +++ b/QM9_tddft/raw/02817.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54d56fd77eba21740ae853429e76011862fe027e8e1bb2e35f1055922f01eea8 +size 4813650 diff --git a/QM9_tddft/raw/02821.pt b/QM9_tddft/raw/02821.pt new file mode 100644 index 0000000000000000000000000000000000000000..55da916c3afb53ad5c2891b78e1f91935bbccb1a --- /dev/null +++ b/QM9_tddft/raw/02821.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b357413d77edf651279b7bf179e709851f09520278dde5b2edfa514713a4ad21 +size 2931090 diff --git a/QM9_tddft/raw/02825.pt b/QM9_tddft/raw/02825.pt new file mode 100644 index 0000000000000000000000000000000000000000..688055e5b86c0a649cafb829eaaa21622d57ae5e --- /dev/null +++ b/QM9_tddft/raw/02825.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f85ded1a3ec15f66c25da042b32faf6e10866dde8e7a4496854ae83ce03e9276 +size 6109970 diff --git a/QM9_tddft/raw/02831.pt b/QM9_tddft/raw/02831.pt new file mode 100644 index 0000000000000000000000000000000000000000..8ea6e45b52e77b2bf81f2d14cb0e5ac8870999b1 --- /dev/null +++ b/QM9_tddft/raw/02831.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5af82ecfa1e26747546effb2371eb4bee4266a549e4dd142415deef4b53fe3b0 +size 5109778 diff --git a/QM9_tddft/raw/02837.pt b/QM9_tddft/raw/02837.pt new file mode 100644 index 0000000000000000000000000000000000000000..cf39895659c790dfffd71e38ada04ba6a1557423 --- /dev/null +++ b/QM9_tddft/raw/02837.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:151ba545241b388f73f4dc13bc7f615f182bfd26a9302d93981409f6afa85cd5 +size 5041810 diff --git a/QM9_tddft/raw/02839.pt b/QM9_tddft/raw/02839.pt new file mode 100644 index 0000000000000000000000000000000000000000..04906c0d658e81266546dc176fef0f4bae289181 --- /dev/null +++ b/QM9_tddft/raw/02839.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e634d7b6ffaa15c532f34a001fca0277feabc9c499b00d6b1bad5f96745729e +size 5445970 diff --git a/QM9_tddft/raw/02849.pt b/QM9_tddft/raw/02849.pt new file mode 100644 index 0000000000000000000000000000000000000000..3784e957b4ad66ce60a67d63a538a3d285bcde4b --- /dev/null +++ b/QM9_tddft/raw/02849.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f110d72d6255ba451e40227d52153e8c0ffd6af6a6d2e23d20052ebb6ee841b +size 5615442 diff --git a/QM9_tddft/raw/02872.pt b/QM9_tddft/raw/02872.pt new file mode 100644 index 0000000000000000000000000000000000000000..d8117c99f286ae43605ffdaefee7b3239c374185 --- /dev/null +++ b/QM9_tddft/raw/02872.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8b4f2abee1617714fddc41d10ea778cb52b8290cf34ba5d90713c741ae4be02 +size 4490130 diff --git a/QM9_tddft/raw/02873.pt b/QM9_tddft/raw/02873.pt new file mode 100644 index 0000000000000000000000000000000000000000..42fb4a7d733bab3857e99818c223f7cb0413b496 --- /dev/null +++ b/QM9_tddft/raw/02873.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba351bdf00b4247542b96a68057a760b35c1b8c2b643596318b2f83a954940d6 +size 5277586 diff --git a/QM9_tddft/raw/02881.pt b/QM9_tddft/raw/02881.pt new file mode 100644 index 0000000000000000000000000000000000000000..8675f23e1be36a623b7f564e85c9a860a822e1a2 --- /dev/null +++ b/QM9_tddft/raw/02881.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:278de881f0f292d3c3ed9418817eb8698d1e918b5bdc651b2d1d1ce615d83d43 +size 4186322 diff --git a/QM9_tddft/raw/02882.pt b/QM9_tddft/raw/02882.pt new file mode 100644 index 0000000000000000000000000000000000000000..1803f35b0814dde52de86782f16521685e6cd5aa --- /dev/null +++ b/QM9_tddft/raw/02882.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f1ad4a9ef91ed304c6cc5dab5d3f67620ef0aee2e4a47c208cdef4ca64d3c316 +size 5760850 diff --git a/QM9_tddft/raw/02883.pt b/QM9_tddft/raw/02883.pt new file mode 100644 index 0000000000000000000000000000000000000000..580aab9475562b6880dd291ef5fdd23293ea3b98 --- /dev/null +++ b/QM9_tddft/raw/02883.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dddccd84f2f8730093eae047b092837534eae3fbbdb61e5d1a07ba2609f23047 +size 5956498 diff --git a/QM9_tddft/raw/02890.pt b/QM9_tddft/raw/02890.pt new file mode 100644 index 0000000000000000000000000000000000000000..96af49755326080a6f745652e96ee1c0e0496770 --- /dev/null +++ b/QM9_tddft/raw/02890.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4687602482b2334942ff3e80d84f60af463a510c1ea7da6fbda0b394a35e73b3 +size 4329682 diff --git a/QM9_tddft/raw/02894.pt b/QM9_tddft/raw/02894.pt new file mode 100644 index 0000000000000000000000000000000000000000..6880ed019a77587ccfc6468cd2f57be27108f695 --- /dev/null +++ b/QM9_tddft/raw/02894.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:880b4f83c80714cc8bc3ee26a6fa82618b70f0323a51ab9c2144c3c5f65c4ffa +size 5140242 diff --git a/QM9_tddft/raw/02895.pt b/QM9_tddft/raw/02895.pt new file mode 100644 index 0000000000000000000000000000000000000000..04947c468cb64db6025c1721a5bfbb159523e773 --- /dev/null +++ b/QM9_tddft/raw/02895.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9850334909b8d189581d3dfea2710605f90e677cbe1f7b224a18f9c8580c2817 +size 4813650 diff --git a/QM9_tddft/raw/02919.pt b/QM9_tddft/raw/02919.pt new file mode 100644 index 0000000000000000000000000000000000000000..897a35fa0f700a674131a7e329f1361077fb4649 --- /dev/null +++ b/QM9_tddft/raw/02919.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce0d50d853f65917faf0ce062027b4ef18c5e1e58df5ee2c2068431235e53e54 +size 5304594 diff --git a/QM9_tddft/raw/02920.pt b/QM9_tddft/raw/02920.pt new file mode 100644 index 0000000000000000000000000000000000000000..7916cf548cf87ccbc894ad595342eed014d9cf6a --- /dev/null +++ b/QM9_tddft/raw/02920.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56fffcfd6a39868f9381cddc5cbd5ba73638159229885a01b88c80f391d3c737 +size 4037394 diff --git a/QM9_tddft/raw/02923.pt b/QM9_tddft/raw/02923.pt new file mode 100644 index 0000000000000000000000000000000000000000..0aecc5faf2a4b4b03a90341f6575335cb0e7f0bb --- /dev/null +++ b/QM9_tddft/raw/02923.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c28e5310422270ed4e2bdce6d6d453777be05660e998b2b9eb648a7c483369b2 +size 3300434 diff --git a/QM9_tddft/raw/02925.pt b/QM9_tddft/raw/02925.pt new file mode 100644 index 0000000000000000000000000000000000000000..26e9394199e902d849657b94b615886d32e41df4 --- /dev/null +++ b/QM9_tddft/raw/02925.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a0d6501c43bac65c6251fda31479d3f280f4d5f463215c142ce4cd278fde613 +size 5760850 diff --git a/QM9_tddft/raw/02928.pt b/QM9_tddft/raw/02928.pt new file mode 100644 index 0000000000000000000000000000000000000000..64e15a45b4db1d232e05201862e23e89bee09998 --- /dev/null +++ b/QM9_tddft/raw/02928.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:79692be08465731748bfd2f89decf545edb3ea4a7468b83a0337b346a454d1a0 +size 4942866 diff --git a/QM9_tddft/raw/02934.pt b/QM9_tddft/raw/02934.pt new file mode 100644 index 0000000000000000000000000000000000000000..6282b8604b1dbf8cfe843247116c53ef6fc70818 --- /dev/null +++ b/QM9_tddft/raw/02934.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76e5419dd9afbab9d098dd23733c5606e325feab5677661a3afc27c834a08435 +size 5277586 diff --git a/QM9_tddft/raw/02946.pt b/QM9_tddft/raw/02946.pt new file mode 100644 index 0000000000000000000000000000000000000000..46d3072e9b9cca846de9a9eb6a697b8286664635 --- /dev/null +++ b/QM9_tddft/raw/02946.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e3760d6f65aae459ee24aef6e208ecd19a478d2894b002785c7afde6306d9d4 +size 5615442 diff --git a/QM9_tddft/raw/02956.pt b/QM9_tddft/raw/02956.pt new file mode 100644 index 0000000000000000000000000000000000000000..6223c06fc22d727e6320e4815b59d193ab98ae0a --- /dev/null +++ b/QM9_tddft/raw/02956.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2d38f396dd96c902f20143e877388569f5ef4d1700a7c982e388a0ae8cbcce1 +size 4563922 diff --git a/QM9_tddft/raw/02962.pt b/QM9_tddft/raw/02962.pt new file mode 100644 index 0000000000000000000000000000000000000000..4dc2988751d2287c9cf3d1a447775d2c81ca01f3 --- /dev/null +++ b/QM9_tddft/raw/02962.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85522ec2e03ffbefb2abdcfc0fdcd7af2c978fad84018367fee5420f04f85028 +size 4611346 diff --git a/QM9_tddft/raw/02964.pt b/QM9_tddft/raw/02964.pt new file mode 100644 index 0000000000000000000000000000000000000000..bd5461b5b7670684f8f8c436340921c74ceb2369 --- /dev/null +++ b/QM9_tddft/raw/02964.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da7c569eed3604900d938026b65c2aefb1e9dc20f4455d52cb8d5a20fd883067 +size 5002898 diff --git a/QM9_tddft/raw/02965.pt b/QM9_tddft/raw/02965.pt new file mode 100644 index 0000000000000000000000000000000000000000..4b422a2472083a6abf1c1d85bd67e347d4356c99 --- /dev/null +++ b/QM9_tddft/raw/02965.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5b7e911965ae4951e98b02223014d0f1e540b0947369d43a18d2f15236a873a +size 5587346 diff --git a/QM9_tddft/raw/02970.pt b/QM9_tddft/raw/02970.pt new file mode 100644 index 0000000000000000000000000000000000000000..76517723b212fba04a12d360063ad4b1c399be2d --- /dev/null +++ b/QM9_tddft/raw/02970.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:754f34c974eb469e79660c3edcea35af0db692d65808d4b017f1ce5a41df3a04 +size 5277586 diff --git a/QM9_tddft/raw/02971.pt b/QM9_tddft/raw/02971.pt new file mode 100644 index 0000000000000000000000000000000000000000..96c09df59664eaab3d6bdd4e6ec09cc7c66cb5d7 --- /dev/null +++ b/QM9_tddft/raw/02971.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18da70230a24bcab11792ca57f20c4a2a52e7e4929b097d965d98f7cdc12a373 +size 5414930 diff --git a/QM9_tddft/raw/02983.pt b/QM9_tddft/raw/02983.pt new file mode 100644 index 0000000000000000000000000000000000000000..0f9c8fbf094fe7776dbbd5b303fc0e7f435c0817 --- /dev/null +++ b/QM9_tddft/raw/02983.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5f6b2dfc963fc6031d6be9d19f425d11dc4c528ebb7684338670f61f7acd0ef +size 5956498 diff --git a/QM9_tddft/raw/02989.pt b/QM9_tddft/raw/02989.pt new file mode 100644 index 0000000000000000000000000000000000000000..f272615649c8625690870aab780c9fae03f8bd6d --- /dev/null +++ b/QM9_tddft/raw/02989.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11a3325f3bd60eacb99d985f9ab166f60ac57cb7661fe17827287f0452dee351 +size 6624082 diff --git a/QM9_tddft/raw/02991.pt b/QM9_tddft/raw/02991.pt new file mode 100644 index 0000000000000000000000000000000000000000..c701e85dcc12ce91f7f9a7110e4a1d8af4ea29b3 --- /dev/null +++ b/QM9_tddft/raw/02991.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b5aa380630bf9e1260d84b70f2811f0ee358c25ad7b7658f3c75e3b38775325 +size 6462354 diff --git a/QM9_tddft/raw/02992.pt b/QM9_tddft/raw/02992.pt new file mode 100644 index 0000000000000000000000000000000000000000..a599fb67334036319aa424a1299d2cf417c6e098 --- /dev/null +++ b/QM9_tddft/raw/02992.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ef66e6124132c04a3b7c4bfb8a7836c189aca5af0e7bedaae1c8314a9972c38 +size 5109778 diff --git a/QM9_tddft/raw/03004.pt b/QM9_tddft/raw/03004.pt new file mode 100644 index 0000000000000000000000000000000000000000..1e195961894322852e21ff7f204d97b7b80bbcfa --- /dev/null +++ b/QM9_tddft/raw/03004.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:284b96e61d054e19ff4076b08cedbe6f25903e9f66c000e0ef2113b65f407b2e +size 5109778 diff --git a/QM9_tddft/raw/03009.pt b/QM9_tddft/raw/03009.pt new file mode 100644 index 0000000000000000000000000000000000000000..4bb8e429cce756adcca8b91d9a0eedb594f0f98b --- /dev/null +++ b/QM9_tddft/raw/03009.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e62b5b01fec4d1d43e4b039b553a9f1d412a639ae0832d8d833aaf5763b3e1f +size 5109778 diff --git a/QM9_tddft/raw/03014.pt b/QM9_tddft/raw/03014.pt new file mode 100644 index 0000000000000000000000000000000000000000..9f04fd1d8fee30a524043b34c3562533a8e241b7 --- /dev/null +++ b/QM9_tddft/raw/03014.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c9caff0803bd83a43bd3708ecc07a8dfb68fdcd863e5c738f40e05d47899c99 +size 4684370 diff --git a/QM9_tddft/raw/03015.pt b/QM9_tddft/raw/03015.pt new file mode 100644 index 0000000000000000000000000000000000000000..fbde5b01306463f833a0b7d0f6b91e5bc6c96375 --- /dev/null +++ b/QM9_tddft/raw/03015.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e91cba25427e974c3283f38291dd76a7491d5dd626bbece4e32e0ca11cc4d2d +size 4813650 diff --git a/QM9_tddft/raw/03035.pt b/QM9_tddft/raw/03035.pt new file mode 100644 index 0000000000000000000000000000000000000000..501fd35a0cd710254083fbfafa336ceb70d89c97 --- /dev/null +++ b/QM9_tddft/raw/03035.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1bde0f660558333a3d1b27ae637cdcad1ce464f0610671f39decbda5e9f31b9 +size 4942866 diff --git a/QM9_tddft/raw/03037.pt b/QM9_tddft/raw/03037.pt new file mode 100644 index 0000000000000000000000000000000000000000..cf66fc80d54c3b6ed38508c43c84ce88bc5823dd --- /dev/null +++ b/QM9_tddft/raw/03037.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4638ab736f7eaa489dd24cfb965d192fbdae34f5b883c584e92f0c6504ec0367 +size 5587346 diff --git a/QM9_tddft/raw/03039.pt b/QM9_tddft/raw/03039.pt new file mode 100644 index 0000000000000000000000000000000000000000..7b78e42cc59f75b7a0880e37578d48a61676a4bc --- /dev/null +++ b/QM9_tddft/raw/03039.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:438ed33fc385cab02c18786476de7ca38b871d6c02162f9ea5e13e678f0b98e5 +size 4368978 diff --git a/QM9_tddft/raw/03049.pt b/QM9_tddft/raw/03049.pt new file mode 100644 index 0000000000000000000000000000000000000000..cbef78a6b2d3836861c0df5625509dd324d05c96 --- /dev/null +++ b/QM9_tddft/raw/03049.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d629627e01651ba170f3f189c3b2c0010539ff1e36f323231ccae715831dcdd6 +size 3347986 diff --git a/QM9_tddft/raw/03057.pt b/QM9_tddft/raw/03057.pt new file mode 100644 index 0000000000000000000000000000000000000000..976b50c83e1314e31296278b75685dc57f334205 --- /dev/null +++ b/QM9_tddft/raw/03057.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59b3ab00fbb5848126511f1c4c823cce42c5c77ea132fcc26b7151ac53aa4620 +size 4526098 diff --git a/QM9_tddft/raw/03058.pt b/QM9_tddft/raw/03058.pt new file mode 100644 index 0000000000000000000000000000000000000000..a88a46c763a479291c982ad7010e80335cc4c959 --- /dev/null +++ b/QM9_tddft/raw/03058.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c27fd163733a11ff3b8a2692835364f6a8047073ec15e9bdeeeeade00266c1ef +size 4942866 diff --git a/QM9_tddft/raw/03065.pt b/QM9_tddft/raw/03065.pt new file mode 100644 index 0000000000000000000000000000000000000000..fcf81af7d20a397ed3f0c373c3ec9df2ce4ceabf --- /dev/null +++ b/QM9_tddft/raw/03065.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22fe3150986944f3a7daff71d885090356e88437b1b9993666f2aeda7e381c62 +size 6109970 diff --git a/QM9_tddft/raw/03066.pt b/QM9_tddft/raw/03066.pt new file mode 100644 index 0000000000000000000000000000000000000000..d39d1b7ec2b93a4d0f411ade9213107123ec41b1 --- /dev/null +++ b/QM9_tddft/raw/03066.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f95ca05b5f14c07d6fc34bd9c44f5bc753fb69028398f223a1dadbd3abbd002 +size 5956498 diff --git a/QM9_tddft/raw/03067.pt b/QM9_tddft/raw/03067.pt new file mode 100644 index 0000000000000000000000000000000000000000..80bce75a105e8beea1f658658a4ff6751f71cd2a --- /dev/null +++ b/QM9_tddft/raw/03067.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1f7a8c8b75755373e506f9504cd13a4ed985c745db9fb69f68cf1a5ecfdc82a +size 4431890 diff --git a/QM9_tddft/raw/03069.pt b/QM9_tddft/raw/03069.pt new file mode 100644 index 0000000000000000000000000000000000000000..4d26657a1577404bf78bbabd1ed48624c83fa151 --- /dev/null +++ b/QM9_tddft/raw/03069.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d301542581b851cea522405a8bea010f0b4447d53347278ae2a2fbe7ddfcad91 +size 4170066 diff --git a/QM9_tddft/raw/03070.pt b/QM9_tddft/raw/03070.pt new file mode 100644 index 0000000000000000000000000000000000000000..25fd76bfad44eb4e4e938a1cf45cd881ad8f575a --- /dev/null +++ b/QM9_tddft/raw/03070.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99daa0336b5f17bc5fdf1f518e5fd490417046db60cd79de5a4bfede33f1515a +size 4976530 diff --git a/QM9_tddft/raw/03084.pt b/QM9_tddft/raw/03084.pt new file mode 100644 index 0000000000000000000000000000000000000000..b5dfbdcd8f36bc6c3908c49b64b2aec993f74002 --- /dev/null +++ b/QM9_tddft/raw/03084.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ad10f2774a9c7cc0cf61b9c085fbfd323bd46afbdc6881155fa7d77533350cf +size 6263570 diff --git a/QM9_tddft/raw/03085.pt b/QM9_tddft/raw/03085.pt new file mode 100644 index 0000000000000000000000000000000000000000..2da88a8e50c429748f38686c0a755404e60d9798 --- /dev/null +++ b/QM9_tddft/raw/03085.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a4d5905f955ac4789ddd2382efc12604c4edd4ba4737a29984275b604788f8b +size 5243090 diff --git a/QM9_tddft/raw/03086.pt b/QM9_tddft/raw/03086.pt new file mode 100644 index 0000000000000000000000000000000000000000..53166d2efab946b24493373161ad7d2168f975bb --- /dev/null +++ b/QM9_tddft/raw/03086.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bd4a5d7e91126505e2a88e20c1d471d822bb31c5834cdb24ba0f6a4445677e1 +size 5956498 diff --git a/QM9_tddft/raw/03094.pt b/QM9_tddft/raw/03094.pt new file mode 100644 index 0000000000000000000000000000000000000000..29854e998c5f441b1807438bd1a7ce92e4bc396e --- /dev/null +++ b/QM9_tddft/raw/03094.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fdf96f0ed86aac2ae0a2c9af2c8330903d0e1892aaf6cec7a42d523f0f45c275 +size 3853074 diff --git a/QM9_tddft/raw/03095.pt b/QM9_tddft/raw/03095.pt new file mode 100644 index 0000000000000000000000000000000000000000..3fbc97bb5fa5c65396abcd99368cd1c3c87b3f36 --- /dev/null +++ b/QM9_tddft/raw/03095.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea0de53e008211923d5f5ed895ab611b03786ca1fe38a0d57c100ddbfdb81aba +size 5445970 diff --git a/QM9_tddft/raw/03099.pt b/QM9_tddft/raw/03099.pt new file mode 100644 index 0000000000000000000000000000000000000000..bb22037b3f74211350789c36b7ccd7f203b30ff8 --- /dev/null +++ b/QM9_tddft/raw/03099.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18dcf3e5e06ff724061a60fc431a3cbce2dc7c245146d57b1e10cb2c679bc941 +size 6443282 diff --git a/QM9_tddft/raw/03101.pt b/QM9_tddft/raw/03101.pt new file mode 100644 index 0000000000000000000000000000000000000000..94d5eb24aa8b34fa63b7d7953c6396bdd80f70d4 --- /dev/null +++ b/QM9_tddft/raw/03101.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:74aa7f0a67d5ca2fc1562e80537ffe0a70d054d743a55d165d76aa249ef30c90 +size 5760850 diff --git a/QM9_tddft/raw/03117.pt b/QM9_tddft/raw/03117.pt new file mode 100644 index 0000000000000000000000000000000000000000..5cf20675cf2a04a9b06e88df816e8cc4ec24b9af --- /dev/null +++ b/QM9_tddft/raw/03117.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:708ec7415b799dab83d7a9c8febf1fe60219464b948c0dced1be6516c9c7c349 +size 3438162 diff --git a/QM9_tddft/raw/03124.pt b/QM9_tddft/raw/03124.pt new file mode 100644 index 0000000000000000000000000000000000000000..d1e20afc102d773939fc2a780fdf8f54704e1d23 --- /dev/null +++ b/QM9_tddft/raw/03124.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b18c361df2847a97305b4afb923918d44be0bd0fdedbbae617e96713c497e2a2 +size 4651346 diff --git a/QM9_tddft/raw/03129.pt b/QM9_tddft/raw/03129.pt new file mode 100644 index 0000000000000000000000000000000000000000..116f9b9b398489985eb3a78002275d1bd806917a --- /dev/null +++ b/QM9_tddft/raw/03129.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bc40f75ea4b34d722c7e3d54becaa7ff5a706707186fcc0d1cd040d185506a8 +size 2420306 diff --git a/QM9_tddft/raw/03130.pt b/QM9_tddft/raw/03130.pt new file mode 100644 index 0000000000000000000000000000000000000000..cbaf335e8713d414097f9b080afe2b39b33ba352 --- /dev/null +++ b/QM9_tddft/raw/03130.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09cdc13d7c08950bb775a74a6a85d318752a0423c582a540e4363aa5ae5abdf2 +size 2886162 diff --git a/QM9_tddft/raw/03131.pt b/QM9_tddft/raw/03131.pt new file mode 100644 index 0000000000000000000000000000000000000000..a562dcf426aea8bb2672f551d6a385d420807531 --- /dev/null +++ b/QM9_tddft/raw/03131.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4087ad44cc76913140f4da26b211b4ec3848aeedeacc226e59e020fe2d78c733 +size 4616850 diff --git a/QM9_tddft/raw/03146.pt b/QM9_tddft/raw/03146.pt new file mode 100644 index 0000000000000000000000000000000000000000..a053de7e02cdefc17c387b96a98d5be09501a1ad --- /dev/null +++ b/QM9_tddft/raw/03146.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d336808771d1f3306f15e114917da540564c54047973654f4734edcad536107 +size 4976530 diff --git a/QM9_tddft/raw/03147.pt b/QM9_tddft/raw/03147.pt new file mode 100644 index 0000000000000000000000000000000000000000..ada551e932b3d4c57b82f7d9cc9a917b8bad2b70 --- /dev/null +++ b/QM9_tddft/raw/03147.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:053ec5d66dbaa5d1ff88681e88ecab431b6ef79c382af151165a330246a27c4a +size 4651346 diff --git a/QM9_tddft/raw/03153.pt b/QM9_tddft/raw/03153.pt new file mode 100644 index 0000000000000000000000000000000000000000..9007063274ef2a4abbfee44e289797ff39fd656f --- /dev/null +++ b/QM9_tddft/raw/03153.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e36773a859469eb0d8e883cbb9c8c4020944dc5a84f5aeaae3a666d550d228a +size 6109970 diff --git a/QM9_tddft/raw/03160.pt b/QM9_tddft/raw/03160.pt new file mode 100644 index 0000000000000000000000000000000000000000..2812343756666c7d5ad877fccb88901b1079e0a3 --- /dev/null +++ b/QM9_tddft/raw/03160.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66037d0b0dea7a831cf2ef578a9c72d799f6018b9bd5ed4e7fd227c44fe08978 +size 4247634 diff --git a/QM9_tddft/raw/03164.pt b/QM9_tddft/raw/03164.pt new file mode 100644 index 0000000000000000000000000000000000000000..c346622a02a8d682560014246e3accfa1c1d27f1 --- /dev/null +++ b/QM9_tddft/raw/03164.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:481a3c6601debc08d0886d407e9362406ca76c8c76edf6be1500474bfe3bdca2 +size 5934994 diff --git a/QM9_tddft/raw/03167.pt b/QM9_tddft/raw/03167.pt new file mode 100644 index 0000000000000000000000000000000000000000..e1dc04f4738c1e2e559b91f6024f597c0d3dc088 --- /dev/null +++ b/QM9_tddft/raw/03167.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:106553122c15ef16d73fcc4a7b6e55aa16518826e270bd63a8bf1d2e77c619e8 +size 4813650 diff --git a/QM9_tddft/raw/03170.pt b/QM9_tddft/raw/03170.pt new file mode 100644 index 0000000000000000000000000000000000000000..d899897f43aa76c90c81eb1dd0eb4816e4dcf4ed --- /dev/null +++ b/QM9_tddft/raw/03170.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:40c30126c45c02ece67c4a2379ef1253182f2d79e14e7cee6b822280c695c89b +size 3596306 diff --git a/QM9_tddft/raw/03174.pt b/QM9_tddft/raw/03174.pt new file mode 100644 index 0000000000000000000000000000000000000000..7f41674cb48b806f0f628302a7dda1823b11ddc3 --- /dev/null +++ b/QM9_tddft/raw/03174.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99498cc423b85c1a59233ec3edd08f50ad10e9001700167544529039434e1d79 +size 4813650 diff --git a/QM9_tddft/raw/03175.pt b/QM9_tddft/raw/03175.pt new file mode 100644 index 0000000000000000000000000000000000000000..3a6af3d89f78a0735537f5f03dbaaa3980bc063f --- /dev/null +++ b/QM9_tddft/raw/03175.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bb12372dd0ff15e84f311d1ceeab537757d0a2935b5e3b9fd9891872c693705e +size 4813650 diff --git a/QM9_tddft/raw/03191.pt b/QM9_tddft/raw/03191.pt new file mode 100644 index 0000000000000000000000000000000000000000..092fa695086b0f828c1c2db43b1a45d943c7df91 --- /dev/null +++ b/QM9_tddft/raw/03191.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b98c468705316ec7df5d5c9fd23e199df3bd7202dd3afc1849f972cf32d92ebf +size 5760850 diff --git a/QM9_tddft/raw/03197.pt b/QM9_tddft/raw/03197.pt new file mode 100644 index 0000000000000000000000000000000000000000..a2fa0e2ad76222418aa7f1156f82f9f707e8fcf7 --- /dev/null +++ b/QM9_tddft/raw/03197.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eacaaf365011e07f9b7af78e14e59d4c0bb7478142ab9e104b882cca643587c2 +size 5445970 diff --git a/QM9_tddft/raw/03204.pt b/QM9_tddft/raw/03204.pt new file mode 100644 index 0000000000000000000000000000000000000000..88927c9e4826f27a86e686dc8495846eed1c6eb0 --- /dev/null +++ b/QM9_tddft/raw/03204.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a790b5026b2ef67a95332b025daad2f708966c8128f654bda52cf5045adbe2 +size 5934994 diff --git a/QM9_tddft/raw/03207.pt b/QM9_tddft/raw/03207.pt new file mode 100644 index 0000000000000000000000000000000000000000..5ad4592c2395e6dde5e7b829a56fde4182303c93 --- /dev/null +++ b/QM9_tddft/raw/03207.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c30dbd4e69f710668e88e6f948f911434b4d8bd6cacafb5370b7504383ac25a +size 6109970 diff --git a/QM9_tddft/raw/03208.pt b/QM9_tddft/raw/03208.pt new file mode 100644 index 0000000000000000000000000000000000000000..5ac8d61b6942da28eb5b39691a1bb4f247564755 --- /dev/null +++ b/QM9_tddft/raw/03208.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:861f70b34ab0b8ea4ae7f8fe88e305d2a3041b76ca02e753b3649a5d34305fcd +size 5615442 diff --git a/QM9_tddft/raw/03215.pt b/QM9_tddft/raw/03215.pt new file mode 100644 index 0000000000000000000000000000000000000000..85d4b2a1fa59bb093dcd8017f0438825076c48b6 --- /dev/null +++ b/QM9_tddft/raw/03215.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:17c790bcf9ad3bb1cdbfe9ae1ddeefd3eed7439efabc5a7114645ed1b064b1f0 +size 3889618 diff --git a/QM9_tddft/raw/03216.pt b/QM9_tddft/raw/03216.pt new file mode 100644 index 0000000000000000000000000000000000000000..a5b8a8fed550d9634ef384ab7c98c20740514142 --- /dev/null +++ b/QM9_tddft/raw/03216.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d787ecb73d81f1142248dcd6c5047252122797f231e1e4ec4c7e3974b1edac2c +size 5445970 diff --git a/QM9_tddft/raw/03219.pt b/QM9_tddft/raw/03219.pt new file mode 100644 index 0000000000000000000000000000000000000000..7d8c88e6a9678de89562f4a86092083e6ed7c495 --- /dev/null +++ b/QM9_tddft/raw/03219.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4797d8893d07d33bc98b9aa067d58650ad4ab874ccf56c98f92a358edac17cc7 +size 5615442 diff --git a/QM9_tddft/raw/03221.pt b/QM9_tddft/raw/03221.pt new file mode 100644 index 0000000000000000000000000000000000000000..b646adfb70ab95078896363944e36537f360d656 --- /dev/null +++ b/QM9_tddft/raw/03221.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb163a6a38b060c36278ff867d2091a2548779e55b2afdc8c5af59f5c15193cf +size 4976530 diff --git a/QM9_tddft/raw/03231.pt b/QM9_tddft/raw/03231.pt new file mode 100644 index 0000000000000000000000000000000000000000..c97567f3759da634490f1caf93c9d795deb3573d --- /dev/null +++ b/QM9_tddft/raw/03231.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d827932deaec6a3b8251b769b81a17a38e7e43ea3a4e16b5ce54efc0d0b5270e +size 4212498 diff --git a/QM9_tddft/raw/03233.pt b/QM9_tddft/raw/03233.pt new file mode 100644 index 0000000000000000000000000000000000000000..d9c877cfb372eb4198f44898366ede4ea031fbc1 --- /dev/null +++ b/QM9_tddft/raw/03233.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ef3b1e31b2d00f138ab58eb05d74eb8ef27e8154c994950978bcfe1cccbb2309 +size 4976530 diff --git a/QM9_tddft/raw/03235.pt b/QM9_tddft/raw/03235.pt new file mode 100644 index 0000000000000000000000000000000000000000..55324d7982a4c6afcef3a19e3285dbfa6b1aa094 --- /dev/null +++ b/QM9_tddft/raw/03235.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f843164e2d59c549658f4c2cd2bf68d61aa3ddc8264e55991846f95790d0a04f +size 6109970 diff --git a/QM9_tddft/raw/03245.pt b/QM9_tddft/raw/03245.pt new file mode 100644 index 0000000000000000000000000000000000000000..35575bb36adc18be1cb5c823bfbd96e67dada1ec --- /dev/null +++ b/QM9_tddft/raw/03245.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4db264758926b9d95b47b14fdb1069eecd647e27655d0bb5dd0fb1f73d6e3871 +size 4490130 diff --git a/QM9_tddft/raw/03249.pt b/QM9_tddft/raw/03249.pt new file mode 100644 index 0000000000000000000000000000000000000000..feac82ebb206afb3054aa309b7c9d6cd60c1551f --- /dev/null +++ b/QM9_tddft/raw/03249.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e2adc849af43b5d573fec4a6d2d98e86aec22800a989c5f7876650f5e202b13 +size 4156050 diff --git a/QM9_tddft/raw/03253.pt b/QM9_tddft/raw/03253.pt new file mode 100644 index 0000000000000000000000000000000000000000..8dc7bf523ef7375ea81482c5a75469abf36c8abd --- /dev/null +++ b/QM9_tddft/raw/03253.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c36bb56440be4190939858684bdc67caaa6f65f80ebb3892ca1b761eedda8699 +size 3742546 diff --git a/QM9_tddft/raw/03266.pt b/QM9_tddft/raw/03266.pt new file mode 100644 index 0000000000000000000000000000000000000000..984ccca228898c2a609c37a84cd356b8f6df0ebf --- /dev/null +++ b/QM9_tddft/raw/03266.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:44620596bcc0baba8e4c0cb9e27eaecdb87b54f5dbad3b500161dcce8d6a35b1 +size 5140242 diff --git a/QM9_tddft/raw/03267.pt b/QM9_tddft/raw/03267.pt new file mode 100644 index 0000000000000000000000000000000000000000..76f58129c1708172144c6615f1123259c360f3f7 --- /dev/null +++ b/QM9_tddft/raw/03267.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a994c6d44ddd0fba9bc4d3afc60cd591e5e0de2b121f444044400c8c0343bb92 +size 4776530 diff --git a/QM9_tddft/raw/03269.pt b/QM9_tddft/raw/03269.pt new file mode 100644 index 0000000000000000000000000000000000000000..5b7dbc371463b63ca9af9ae111c3b977e92122ab --- /dev/null +++ b/QM9_tddft/raw/03269.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a0bcac8ecd512d35a4d274ea9b7b867caa99e48621bb2d4fd7a351bf47b5d11 +size 5277586 diff --git a/QM9_tddft/raw/03273.pt b/QM9_tddft/raw/03273.pt new file mode 100644 index 0000000000000000000000000000000000000000..2ce33b6045d80d3456842c9996d934ac7bc7650f --- /dev/null +++ b/QM9_tddft/raw/03273.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d56a4139e75f941d645471bab2e7a70b92ac9d8f92929c93c92b3131d0bc567 +size 4490130 diff --git a/QM9_tddft/raw/03279.pt b/QM9_tddft/raw/03279.pt new file mode 100644 index 0000000000000000000000000000000000000000..c91165d391e57cf4adc8542b21ca044d414ba00a --- /dev/null +++ b/QM9_tddft/raw/03279.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c6e59f4d62405a6c0645c5a95fa2f7951da4bdc06a68c4b4781e838e343f1892 +size 4651346 diff --git a/QM9_tddft/raw/03280.pt b/QM9_tddft/raw/03280.pt new file mode 100644 index 0000000000000000000000000000000000000000..e6a4605c6327a35d1df6d3a509d91c360613a90e --- /dev/null +++ b/QM9_tddft/raw/03280.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b804697786250b4885cb66b7702034e892ec0b2514cee96dfeea82019490b48 +size 5109778 diff --git a/QM9_tddft/raw/03286.pt b/QM9_tddft/raw/03286.pt new file mode 100644 index 0000000000000000000000000000000000000000..cfe9670d0db09bb5fbe37c0bb1a7f01a1e156c8d --- /dev/null +++ b/QM9_tddft/raw/03286.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a1db777f5c6c42d827255be9137bacadf7f9feaf693a4eaabdc12e1b063b64c +size 5760850 diff --git a/QM9_tddft/raw/03288.pt b/QM9_tddft/raw/03288.pt new file mode 100644 index 0000000000000000000000000000000000000000..7be1a09cb7b2fd50e0583730a17eaaf201b38275 --- /dev/null +++ b/QM9_tddft/raw/03288.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82f002b2f5df867e2d20b0241135472c2c1a58580defd65fb860c0290c28e692 +size 4976530 diff --git a/QM9_tddft/raw/03289.pt b/QM9_tddft/raw/03289.pt new file mode 100644 index 0000000000000000000000000000000000000000..38b3c555ab2808f76a11bc4e8ed6591f2fa65a60 --- /dev/null +++ b/QM9_tddft/raw/03289.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:10b40e283e312b948cd8bcba0dded8ebdf03607605f8e6bbf1fa063efd1c730d +size 4037394 diff --git a/QM9_tddft/raw/03295.pt b/QM9_tddft/raw/03295.pt new file mode 100644 index 0000000000000000000000000000000000000000..8813b8c252ad7df0fdbefc26bc6d92f285e9f54a --- /dev/null +++ b/QM9_tddft/raw/03295.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1816fcd69ed9ee44193695533e00862fc43db2db1faf12bc4e33f67bfd45e3f +size 6263570 diff --git a/QM9_tddft/raw/03297.pt b/QM9_tddft/raw/03297.pt new file mode 100644 index 0000000000000000000000000000000000000000..2ec1a620bc1a11a798e645a8823f70793e53d0c1 --- /dev/null +++ b/QM9_tddft/raw/03297.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a254cdf5b7d7b8d95dba48c59873be361c09dac5afe9308029d1d8d81216338 +size 5277586 diff --git a/QM9_tddft/raw/03298.pt b/QM9_tddft/raw/03298.pt new file mode 100644 index 0000000000000000000000000000000000000000..a4142e9a7286ae427772285a1df120117d214020 --- /dev/null +++ b/QM9_tddft/raw/03298.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d37e3b9a0b82ee08f213afa3cd33aa824902e3113488ded2b18e33b4c15b6d9 +size 5760850 diff --git a/QM9_tddft/raw/03306.pt b/QM9_tddft/raw/03306.pt new file mode 100644 index 0000000000000000000000000000000000000000..03102152b422a02953d5ed3990d44638eb078e0a --- /dev/null +++ b/QM9_tddft/raw/03306.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:308ffd01116ce4f124d50d4bbbf6f175dcaae536c440972cef9fa5e0dbb75166 +size 4490130 diff --git a/QM9_tddft/raw/03309.pt b/QM9_tddft/raw/03309.pt new file mode 100644 index 0000000000000000000000000000000000000000..f0121904ac217d13b369b948a4a1494aafe9b718 --- /dev/null +++ b/QM9_tddft/raw/03309.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73f0c0d700e7b93d5837571397570bf2ca2c0cd0926e00896e5b7a0b128ba576 +size 4843218 diff --git a/QM9_tddft/raw/03313.pt b/QM9_tddft/raw/03313.pt new file mode 100644 index 0000000000000000000000000000000000000000..ea9cacf5c846ed2e41e5a43987770e7ada6e9d2f --- /dev/null +++ b/QM9_tddft/raw/03313.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f09851200f5011bd67135ff48036015c82bceef1195c7dd32942e9e23520c221 +size 5109778 diff --git a/QM9_tddft/raw/03318.pt b/QM9_tddft/raw/03318.pt new file mode 100644 index 0000000000000000000000000000000000000000..0eac40683523c0ffe9a6caa8ae66b85bbabb62e7 --- /dev/null +++ b/QM9_tddft/raw/03318.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:101395af42e0503c773a3dd9f80988137be459eded8da84e4fca75307ddd6232 +size 4813650 diff --git a/QM9_tddft/raw/03321.pt b/QM9_tddft/raw/03321.pt new file mode 100644 index 0000000000000000000000000000000000000000..55494c69e17abb59e5c9a330b1339a6166523f0d --- /dev/null +++ b/QM9_tddft/raw/03321.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:610200f8298f90273d85cc614e5838fb4569656816d4ad8556f1a79afb682d19 +size 5277586 diff --git a/QM9_tddft/raw/03322.pt b/QM9_tddft/raw/03322.pt new file mode 100644 index 0000000000000000000000000000000000000000..2cd77032929f5d7a6363d27ccb46acb9315772cd --- /dev/null +++ b/QM9_tddft/raw/03322.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:921973413fc4dac09f653170471ee1c9f761e14570b3237c2014a6c253ddd2ac +size 4156050 diff --git a/QM9_tddft/raw/03326.pt b/QM9_tddft/raw/03326.pt new file mode 100644 index 0000000000000000000000000000000000000000..6d10733bbef5eba90315ff00da5202447f18eaa2 --- /dev/null +++ b/QM9_tddft/raw/03326.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8aaaa6b86d22d39c8675bb0a4a168ab0ded859fdbc4559856b6ddbc95f1d2bd +size 6109970 diff --git a/QM9_tddft/raw/03328.pt b/QM9_tddft/raw/03328.pt new file mode 100644 index 0000000000000000000000000000000000000000..9bcebe613529e866de6be54041e4c7671f56b310 --- /dev/null +++ b/QM9_tddft/raw/03328.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:527a776fbbf804d86c4ad6ff447944db60aac59f6468078c187a677e769edb49 +size 3553170 diff --git a/QM9_tddft/raw/03346.pt b/QM9_tddft/raw/03346.pt new file mode 100644 index 0000000000000000000000000000000000000000..88a84e595fa0ce734f6df3f2df3cecdbcce16f96 --- /dev/null +++ b/QM9_tddft/raw/03346.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b28d069b434248cb1a7fe1dfa2d1049982cec9bcdf9300d42a9cdef1d0c49b61 +size 5785554 diff --git a/QM9_tddft/raw/03350.pt b/QM9_tddft/raw/03350.pt new file mode 100644 index 0000000000000000000000000000000000000000..2dbaad9d435c7ecdd7905a5034758763f7afe8d3 --- /dev/null +++ b/QM9_tddft/raw/03350.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:84b5eee81890960db4b0ccf99262a2f39ec8e02402ade57775c527fdce16c0c1 +size 5277586 diff --git a/QM9_tddft/raw/03354.pt b/QM9_tddft/raw/03354.pt new file mode 100644 index 0000000000000000000000000000000000000000..4a2373c85807b8fcce5a5e4e442c9086bdac6942 --- /dev/null +++ b/QM9_tddft/raw/03354.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:123313324e37f2cd5fb3efd9133ff376af2aa8aa29321f26b25b8bdba6167fc8 +size 4976530 diff --git a/QM9_tddft/raw/03368.pt b/QM9_tddft/raw/03368.pt new file mode 100644 index 0000000000000000000000000000000000000000..6605e69949ce823124de2361e6593d963851773d --- /dev/null +++ b/QM9_tddft/raw/03368.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b687b926c19a83b7e30fd458c10fbaf6855a5f479cfa6075f530f028919dee7 +size 5956498 diff --git a/QM9_tddft/raw/03383.pt b/QM9_tddft/raw/03383.pt new file mode 100644 index 0000000000000000000000000000000000000000..8a1f895dab0204c81d112431dcf0f45a3b8341b6 --- /dev/null +++ b/QM9_tddft/raw/03383.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a02e3f71c30a40a57a4867652bb10feba2dd60a02bed6da9cf1662ac3a0abb3b +size 4170066 diff --git a/QM9_tddft/raw/03386.pt b/QM9_tddft/raw/03386.pt new file mode 100644 index 0000000000000000000000000000000000000000..a68e5969ccfd2d11061e1eca0b2a680a0a40ee86 --- /dev/null +++ b/QM9_tddft/raw/03386.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:848317c81e2e6d0198cc016565f761c4a00dbf927bc01eb5b172474ce6433aad +size 4212498 diff --git a/QM9_tddft/raw/03393.pt b/QM9_tddft/raw/03393.pt new file mode 100644 index 0000000000000000000000000000000000000000..eef2a2b6af7740d099e8594df9bb2dab50b9875c --- /dev/null +++ b/QM9_tddft/raw/03393.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e14c6bd2a18039a5967cb027b2789180ac0821ec2d284d2135298f15b221683f +size 4813650 diff --git a/QM9_tddft/raw/03399.pt b/QM9_tddft/raw/03399.pt new file mode 100644 index 0000000000000000000000000000000000000000..240d62543aa34eb3db37a9f159d420d6a7470bef --- /dev/null +++ b/QM9_tddft/raw/03399.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4dbed45ebf1747f042ffd7955e5053a9402a85996bdf235483af69342fd98188 +size 5587346 diff --git a/QM9_tddft/raw/03400.pt b/QM9_tddft/raw/03400.pt new file mode 100644 index 0000000000000000000000000000000000000000..f8686cb32367eb1f210afe293fe738079f0dc561 --- /dev/null +++ b/QM9_tddft/raw/03400.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ae3f86bc89d9d26f88c14bd09b8a521775cf51d5d1bc5c6a5e2e92dba4b1d5a +size 5956498 diff --git a/QM9_tddft/raw/03405.pt b/QM9_tddft/raw/03405.pt new file mode 100644 index 0000000000000000000000000000000000000000..259f0755ca62359e302c8a5ee2b15becd3bfc951 --- /dev/null +++ b/QM9_tddft/raw/03405.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6dffa9494a3de79051cc52189716e960c49bdea8757c365aa5ca4adf78da4298 +size 3576594 diff --git a/QM9_tddft/raw/03406.pt b/QM9_tddft/raw/03406.pt new file mode 100644 index 0000000000000000000000000000000000000000..e459b411d809f6ed0486db6266f617a8f8c305cd --- /dev/null +++ b/QM9_tddft/raw/03406.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:352d35356a331929068b40f4516661c6361d1c42b4b227f942dd96d17f687980 +size 5414930 diff --git a/QM9_tddft/raw/03419.pt b/QM9_tddft/raw/03419.pt new file mode 100644 index 0000000000000000000000000000000000000000..5e73fdb90d27f63f7252747827275a3c1674d540 --- /dev/null +++ b/QM9_tddft/raw/03419.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e3e0313d4be759267ca78113063a8c442397ee67929048fa14c9f2e16f929e7 +size 3901970 diff --git a/QM9_tddft/raw/03420.pt b/QM9_tddft/raw/03420.pt new file mode 100644 index 0000000000000000000000000000000000000000..882bbc5a841c63967543bef99376be8b90f8ae06 --- /dev/null +++ b/QM9_tddft/raw/03420.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:926187c6a3bc4e3fc71f34b186e9c166c542af0bdeacd216d6829cfd326b3ea6 +size 4368978 diff --git a/QM9_tddft/raw/03427.pt b/QM9_tddft/raw/03427.pt new file mode 100644 index 0000000000000000000000000000000000000000..c4f3cf343747a7ee2ac1f2a2d3fadcd6f5487c05 --- /dev/null +++ b/QM9_tddft/raw/03427.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ef83778d11ffffcb39e023e5f58a5c26d963da9fdc9d317b39512cfe2e581de +size 4942866 diff --git a/QM9_tddft/raw/03431.pt b/QM9_tddft/raw/03431.pt new file mode 100644 index 0000000000000000000000000000000000000000..2b9672bf2d7be71da9ce2b76945215aebcdeb88e --- /dev/null +++ b/QM9_tddft/raw/03431.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14dc2980c7f9f2222b41fe1773b4448e07dca833d3299312247b6bb195c8d5a4 +size 6462354 diff --git a/QM9_tddft/raw/03433.pt b/QM9_tddft/raw/03433.pt new file mode 100644 index 0000000000000000000000000000000000000000..1cead430ed25aac3e76258757bdfc3ec9a3df80c --- /dev/null +++ b/QM9_tddft/raw/03433.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b0f8a18e60c638a15891e3304bce634d69dc7a7f82064047dafbaf25955b965 +size 4942866 diff --git a/QM9_tddft/raw/03446.pt b/QM9_tddft/raw/03446.pt new file mode 100644 index 0000000000000000000000000000000000000000..130817ceda51d6f49c2d2e8733a511e718bad6d3 --- /dev/null +++ b/QM9_tddft/raw/03446.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:563adc0cae9e9ac977291f1e5139409cd541a14a38e0f759ca93c35b484f4e38 +size 4368978 diff --git a/QM9_tddft/raw/03448.pt b/QM9_tddft/raw/03448.pt new file mode 100644 index 0000000000000000000000000000000000000000..66b791e6520512ed785b4e09e534c88f32cc2a25 --- /dev/null +++ b/QM9_tddft/raw/03448.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:05cb86150ba60589d1509e100b2d98b2f470804317c51df854305e74df9763ee +size 4037394 diff --git a/QM9_tddft/raw/03449.pt b/QM9_tddft/raw/03449.pt new file mode 100644 index 0000000000000000000000000000000000000000..2b167288a2052ba615869d904620abf2c269e376 --- /dev/null +++ b/QM9_tddft/raw/03449.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:962fd958e787dcc520d3a86324025cc51359dacee3089e04caa94f2163aabc56 +size 5934994 diff --git a/QM9_tddft/raw/03452.pt b/QM9_tddft/raw/03452.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a0fc6be3d81b3fda2405b26f3466c296024007f --- /dev/null +++ b/QM9_tddft/raw/03452.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12d2b43fc58a144648b80fad4f795766bd9e19f27176a205088cd2c422e40498 +size 4526098 diff --git a/QM9_tddft/raw/03455.pt b/QM9_tddft/raw/03455.pt new file mode 100644 index 0000000000000000000000000000000000000000..365a670353eddd5ef6c9e2357f8e193b4c98137b --- /dev/null +++ b/QM9_tddft/raw/03455.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9598c63c8eaa7b4f069eee0013a0fb83f87012da39aee22f25cb759b67e3dd75 +size 5243090 diff --git a/QM9_tddft/raw/03459.pt b/QM9_tddft/raw/03459.pt new file mode 100644 index 0000000000000000000000000000000000000000..88cdf16ca86b86a72b31cd8d0df3b56dabc1bb7a --- /dev/null +++ b/QM9_tddft/raw/03459.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2aa57318310f4ca84aa7c6f186c93d44ae016f3e09824af2d77bf598449865c7 +size 5277586 diff --git a/QM9_tddft/raw/03462.pt b/QM9_tddft/raw/03462.pt new file mode 100644 index 0000000000000000000000000000000000000000..048fac355a87619fb7d7f33e353b0cf13b14a0f5 --- /dev/null +++ b/QM9_tddft/raw/03462.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d072a4b599cc9afe649e281adbe966cba80df46a03e137e67363c48e17d2f931 +size 5140242 diff --git a/QM9_tddft/raw/03475.pt b/QM9_tddft/raw/03475.pt new file mode 100644 index 0000000000000000000000000000000000000000..8fc996aba12275df52e755e65905b9f92e39f6bc --- /dev/null +++ b/QM9_tddft/raw/03475.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea6481d4cd71bab9c8aed8c605ac211f94eb710eaaf4dd9a4ffaaf2cc6036b9c +size 4813650 diff --git a/QM9_tddft/raw/03479.pt b/QM9_tddft/raw/03479.pt new file mode 100644 index 0000000000000000000000000000000000000000..d4656710a74bdb3b06c8a5b714edabef6fd4fe45 --- /dev/null +++ b/QM9_tddft/raw/03479.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30cc077c204c50b5cf1e4fc2c06aa9ad80c4d0e0b57825a18069e3036f1b640d +size 5445970 diff --git a/QM9_tddft/raw/03487.pt b/QM9_tddft/raw/03487.pt new file mode 100644 index 0000000000000000000000000000000000000000..22a2b2ba41c81270eca3e964142b93a136c4806d --- /dev/null +++ b/QM9_tddft/raw/03487.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19f0e5c99cc48d9db807c4794dadf451592e98a9b1fe5fbc6f60c997e37e3d50 +size 4813650 diff --git a/QM9_tddft/raw/03490.pt b/QM9_tddft/raw/03490.pt new file mode 100644 index 0000000000000000000000000000000000000000..c16b8719047eb1205af94daa5aba8c49e76b443f --- /dev/null +++ b/QM9_tddft/raw/03490.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a4df4b11cb83144c99019becb4502d06fb3ea77e778cb2b193bccd675282094 +size 5470034 diff --git a/QM9_tddft/raw/03497.pt b/QM9_tddft/raw/03497.pt new file mode 100644 index 0000000000000000000000000000000000000000..5a553bbf7ffa5560895ce3294e5c72d2272db4c1 --- /dev/null +++ b/QM9_tddft/raw/03497.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5aadfe4cdf26d59ebb6955a434e14da3dec2716ea0a5294a3ee6b7f460db91e5 +size 5615442 diff --git a/QM9_tddft/raw/03507.pt b/QM9_tddft/raw/03507.pt new file mode 100644 index 0000000000000000000000000000000000000000..7cb67326f61d91da2aaa618d4b8c43858cec2839 --- /dev/null +++ b/QM9_tddft/raw/03507.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:533c7c6c882d004ba24a290d3ebda30649cdc5ebdcaa3f0ee547cb464bff2b25 +size 5615442 diff --git a/QM9_tddft/raw/03515.pt b/QM9_tddft/raw/03515.pt new file mode 100644 index 0000000000000000000000000000000000000000..36e04f42007f0b248396cb0d1958df755098d20b --- /dev/null +++ b/QM9_tddft/raw/03515.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d4a8a86c8ae940ab1e404b2aad03ebd0ab5c6bcdb0aba32b4a8909e771d4389 +size 4976530 diff --git a/QM9_tddft/raw/03517.pt b/QM9_tddft/raw/03517.pt new file mode 100644 index 0000000000000000000000000000000000000000..1c66b91db1fa3d9c1b6f394be8c209aeafe99ed6 --- /dev/null +++ b/QM9_tddft/raw/03517.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1bc0890b589e9fdce8d6c67f478b4eb4adfbbb006f6e5f915c3be6805a6b2ae +size 3853074 diff --git a/QM9_tddft/raw/03529.pt b/QM9_tddft/raw/03529.pt new file mode 100644 index 0000000000000000000000000000000000000000..ddfafdb59b45c7236de3f00ad6ccf630e5a381e7 --- /dev/null +++ b/QM9_tddft/raw/03529.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:881707713cd5c5f100d1040c6ccfc2d7fb4d838c7a7b9aa8dfe18faba69beada +size 4490130 diff --git a/QM9_tddft/raw/03531.pt b/QM9_tddft/raw/03531.pt new file mode 100644 index 0000000000000000000000000000000000000000..743c21e9f5aa2b9ed22a4960e1f65ee8f7b68d0e --- /dev/null +++ b/QM9_tddft/raw/03531.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7be995727aa3bf0a49f0a81454c5efe40f0079b4b216a580ce770237d1fe5e62 +size 3546322 diff --git a/QM9_tddft/raw/03534.pt b/QM9_tddft/raw/03534.pt new file mode 100644 index 0000000000000000000000000000000000000000..18c068e274a29d71e4e99e5f8e040b39620806e2 --- /dev/null +++ b/QM9_tddft/raw/03534.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:58fc88fd2e59b4640eac4d251f0eef0fad97a8c70164d09ecebc42bd5ab05ee4 +size 5445970 diff --git a/QM9_tddft/raw/03538.pt b/QM9_tddft/raw/03538.pt new file mode 100644 index 0000000000000000000000000000000000000000..f1423a6c84c4379b06a94210d1beabf3bf25052c --- /dev/null +++ b/QM9_tddft/raw/03538.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ec64ac69b66e76bc867fc13d7b338337ffad4de2cf205268ff99466a7610505 +size 3347986 diff --git a/QM9_tddft/raw/03540.pt b/QM9_tddft/raw/03540.pt new file mode 100644 index 0000000000000000000000000000000000000000..beb7862aa71b68c0f06269e32eac967eae4f3b9c --- /dev/null +++ b/QM9_tddft/raw/03540.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd93271ac992cc443c9a7de6ede5bdca212e8f65ceff2d666a6efc035eb5c022 +size 4329682 diff --git a/QM9_tddft/raw/03545.pt b/QM9_tddft/raw/03545.pt new file mode 100644 index 0000000000000000000000000000000000000000..85a3772744542729e00d2dfc8e70ca88c98ba6d9 --- /dev/null +++ b/QM9_tddft/raw/03545.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:472540351df86ff4d8efce4390041b64abc94a53b68be3c2ddce89ad66ee9621 +size 5277586 diff --git a/QM9_tddft/raw/03546.pt b/QM9_tddft/raw/03546.pt new file mode 100644 index 0000000000000000000000000000000000000000..bdf43ae79c1fadae6524131e1b7f6a674172d1c7 --- /dev/null +++ b/QM9_tddft/raw/03546.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2ebe3c81047283d4fb2357a8e0056971ff56135e17a593b8a3ccd0700bee1065 +size 5445970 diff --git a/QM9_tddft/raw/03551.pt b/QM9_tddft/raw/03551.pt new file mode 100644 index 0000000000000000000000000000000000000000..448bd5e0250fa460012c61e1dc8178f2c2f8a9b2 --- /dev/null +++ b/QM9_tddft/raw/03551.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7d833708ba70ee4dca8afd4dec9880c2ed753bfaf3608a53ba76eb29529f762 +size 5956498 diff --git a/QM9_tddft/raw/03557.pt b/QM9_tddft/raw/03557.pt new file mode 100644 index 0000000000000000000000000000000000000000..2d07058b42ef9dd7493fbfa1dd1062bd97bd3d5d --- /dev/null +++ b/QM9_tddft/raw/03557.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38417c7fa84a9a3b94e00f65ad6f32d5d1aab118a76f40214c3cd0937c97cd14 +size 5109778 diff --git a/QM9_tddft/raw/03560.pt b/QM9_tddft/raw/03560.pt new file mode 100644 index 0000000000000000000000000000000000000000..d66a484e909f9996341c0724e64ccada9eb967ed --- /dev/null +++ b/QM9_tddft/raw/03560.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ddc24ebce8b159319f9ded6ce02a8f67e21608300ddf6e9dc5e1492f293a6762 +size 5587346 diff --git a/QM9_tddft/raw/03565.pt b/QM9_tddft/raw/03565.pt new file mode 100644 index 0000000000000000000000000000000000000000..8206b3cca404eec32a2a55f42507f51b5a980f18 --- /dev/null +++ b/QM9_tddft/raw/03565.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:304f8585d9a650c4fe97d6f3f9b6ed92bc56ba29292ea3021827e48311b2e322 +size 5445970 diff --git a/QM9_tddft/raw/03571.pt b/QM9_tddft/raw/03571.pt new file mode 100644 index 0000000000000000000000000000000000000000..c284ca12c5e7e21b76893ca6df67a7aa1f26e24c --- /dev/null +++ b/QM9_tddft/raw/03571.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d6e184c8d0b7b6fd3ead28da6febefa64c2852d9c5d2a18a0de9409d28a152c +size 5587346 diff --git a/QM9_tddft/raw/03574.pt b/QM9_tddft/raw/03574.pt new file mode 100644 index 0000000000000000000000000000000000000000..4452e0629997b9d2f2c4ee58abd5f950b92e9c90 --- /dev/null +++ b/QM9_tddft/raw/03574.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7af454988ebae91de876294247e72fe9e597a44468b14b7a1c29603ae12c572d +size 5201554 diff --git a/QM9_tddft/raw/03584.pt b/QM9_tddft/raw/03584.pt new file mode 100644 index 0000000000000000000000000000000000000000..1de4ef66e1046379f4713a0f59ce2eb7942b84ae --- /dev/null +++ b/QM9_tddft/raw/03584.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:722d252cf3518b23ee992745f900a0a0f16aafaea067d416c29944f7a2987b5f +size 4651346 diff --git a/QM9_tddft/raw/03588.pt b/QM9_tddft/raw/03588.pt new file mode 100644 index 0000000000000000000000000000000000000000..6ebc22f339cfd3ed8ee120ef8bdd9dc43def2c87 --- /dev/null +++ b/QM9_tddft/raw/03588.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38a71ac26a9e3756bb6afd385a7ff2b2e665e0a6babaad8edb5b019a57789557 +size 4170066 diff --git a/QM9_tddft/raw/03592.pt b/QM9_tddft/raw/03592.pt new file mode 100644 index 0000000000000000000000000000000000000000..4e714f7f70c45db44753455c1d59967576a22070 --- /dev/null +++ b/QM9_tddft/raw/03592.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2cb24a8f8fb88f4789532fbb7bf6d64926067b2d0967d106501da52da01c0c76 +size 5002898 diff --git a/QM9_tddft/raw/03600.pt b/QM9_tddft/raw/03600.pt new file mode 100644 index 0000000000000000000000000000000000000000..daa4b0fddc8f5ffcfa0346102a054931f2fa6b28 --- /dev/null +++ b/QM9_tddft/raw/03600.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9bc366f4f5e24345d4c1cf575280faf0d52fa67eb923116e6d3558698be546a +size 5615442 diff --git a/QM9_tddft/raw/03611.pt b/QM9_tddft/raw/03611.pt new file mode 100644 index 0000000000000000000000000000000000000000..f557998a2da114efb50188cabf91c8c26a6bb81c --- /dev/null +++ b/QM9_tddft/raw/03611.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed1002da4013504ca1be83d59df6f76ec6a47a1b2f7e83dfbcb885831ba26852 +size 4490130 diff --git a/QM9_tddft/raw/03616.pt b/QM9_tddft/raw/03616.pt new file mode 100644 index 0000000000000000000000000000000000000000..fc67aa6fd3cc53c813532cea041f544550893855 --- /dev/null +++ b/QM9_tddft/raw/03616.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cc0e1686865cb02121eb7776e46777a46a0ae910344e901d57f856fae875376 +size 4308946 diff --git a/QM9_tddft/raw/03617.pt b/QM9_tddft/raw/03617.pt new file mode 100644 index 0000000000000000000000000000000000000000..1dcd701c4378ec1e532c2a0d109ad85c83e6cdc1 --- /dev/null +++ b/QM9_tddft/raw/03617.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0749970adbb4a65e3c6638b8556e02a0b1029df38a24dff555f5fb25a7607028 +size 5304594 diff --git a/QM9_tddft/raw/03618.pt b/QM9_tddft/raw/03618.pt new file mode 100644 index 0000000000000000000000000000000000000000..935c798fd4970f32fdb5faf21882863f2edffeb7 --- /dev/null +++ b/QM9_tddft/raw/03618.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85e44085d6e13130869fac69f4ada25fa8966c70e30249c2a9bdaab037589fc5 +size 4976530 diff --git a/QM9_tddft/raw/03622.pt b/QM9_tddft/raw/03622.pt new file mode 100644 index 0000000000000000000000000000000000000000..f18e42c67a92239dc2eb8a541d137361cf1445ef --- /dev/null +++ b/QM9_tddft/raw/03622.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d7eed4c086373f9a59b6670cefa2679a77d40d0c245a322992a88585cd5a508 +size 5140242 diff --git a/QM9_tddft/raw/03634.pt b/QM9_tddft/raw/03634.pt new file mode 100644 index 0000000000000000000000000000000000000000..abaf146d94c3ebb2a84ad3e84249f6ec868d199f --- /dev/null +++ b/QM9_tddft/raw/03634.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6cd0130c25637b745298b39c83dcfbc4f4401a14425a58b031ecd48de92f6d6 +size 4716306 diff --git a/QM9_tddft/raw/03644.pt b/QM9_tddft/raw/03644.pt new file mode 100644 index 0000000000000000000000000000000000000000..9caa36b39bcfb2e8085adf8690a572fdb6d7427f --- /dev/null +++ b/QM9_tddft/raw/03644.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f38abdd76576eb86e4c88a65135f1eecb79f61db77f663a8fe822703296c13eb +size 3889618 diff --git a/QM9_tddft/raw/03645.pt b/QM9_tddft/raw/03645.pt new file mode 100644 index 0000000000000000000000000000000000000000..3fd0b1a594ed94f881085fb0d0ad8773ff13d032 --- /dev/null +++ b/QM9_tddft/raw/03645.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed66ebd3aa14e4000fabd0d80c8df2a26db1e4ef6f6b88ce742ccd2663906836 +size 5414930 diff --git a/QM9_tddft/raw/03653.pt b/QM9_tddft/raw/03653.pt new file mode 100644 index 0000000000000000000000000000000000000000..0759ab477b878c786f9279b9a09c3c081e6a18b0 --- /dev/null +++ b/QM9_tddft/raw/03653.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3bede32af851f01370f036537c7c22237914defce15b8c56fbc6b57a310a26ec +size 4813650 diff --git a/QM9_tddft/raw/03657.pt b/QM9_tddft/raw/03657.pt new file mode 100644 index 0000000000000000000000000000000000000000..92a6da8bd251016c1be9b1568075f189159f6176 --- /dev/null +++ b/QM9_tddft/raw/03657.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3637f99bab93de648bd857ad48f805aa1a61521d5428800227ede25590363abb +size 3695698 diff --git a/QM9_tddft/raw/03664.pt b/QM9_tddft/raw/03664.pt new file mode 100644 index 0000000000000000000000000000000000000000..4a4b94e0f0ffc077679d2e4added88216b48fdf8 --- /dev/null +++ b/QM9_tddft/raw/03664.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6316f6428a24cf3aa5a40076cc46918be7c6467e5b8e41c928348074cf3f4f94 +size 5587346 diff --git a/QM9_tddft/raw/03667.pt b/QM9_tddft/raw/03667.pt new file mode 100644 index 0000000000000000000000000000000000000000..ae7e2911ae323d4c693bef29f7fb91f94775e9b5 --- /dev/null +++ b/QM9_tddft/raw/03667.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4b9a0af4bff4bbc5b405d49fd2016649e5106076a86b6d4bafb11827fd29201 +size 4526098 diff --git a/QM9_tddft/raw/03669.pt b/QM9_tddft/raw/03669.pt new file mode 100644 index 0000000000000000000000000000000000000000..339be97a6ea0fbcb3d543bf31e370cc8d0d834df --- /dev/null +++ b/QM9_tddft/raw/03669.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e0b29b765e6855885b0e7e2dc133670ff3813e29dc9239b2c21ee4ee6fcf770 +size 4942866 diff --git a/QM9_tddft/raw/03670.pt b/QM9_tddft/raw/03670.pt new file mode 100644 index 0000000000000000000000000000000000000000..74e7043305c519689397e70301009cabffd5d6df --- /dev/null +++ b/QM9_tddft/raw/03670.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a80585b530b0d43790d582c01492c68ce5413c8d4afc9fc676e470c75a3f12b +size 4004178 diff --git a/QM9_tddft/raw/03671.pt b/QM9_tddft/raw/03671.pt new file mode 100644 index 0000000000000000000000000000000000000000..bc88df2177ed8feaecec780ea1bd482d0570fcd5 --- /dev/null +++ b/QM9_tddft/raw/03671.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7e3efaf5d7cde945a5566cdbb1dd369bf1872b2849adbed0570894b26ac9b799 +size 5587346 diff --git a/QM9_tddft/raw/03683.pt b/QM9_tddft/raw/03683.pt new file mode 100644 index 0000000000000000000000000000000000000000..8a7a405613648bc1c83938b00eef814634897575 --- /dev/null +++ b/QM9_tddft/raw/03683.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fea3118dfc3354d564787b4473d3b35c62cbb317ed74711ff8b9baf36eb8b8ca +size 4942866 diff --git a/QM9_tddft/raw/03685.pt b/QM9_tddft/raw/03685.pt new file mode 100644 index 0000000000000000000000000000000000000000..5ff4bc8e6644d8659b50bf79ae9140325f23aa99 --- /dev/null +++ b/QM9_tddft/raw/03685.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:103e2fc14568ef9c3cb6ad5e854818db2a5a927cfa0e48b8f52dce7fd1c8458f +size 4462482 diff --git a/QM9_tddft/raw/03686.pt b/QM9_tddft/raw/03686.pt new file mode 100644 index 0000000000000000000000000000000000000000..697901dc928957cca6b3bca93dd30248221f2996 --- /dev/null +++ b/QM9_tddft/raw/03686.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:624cb887e683918a810eff29b0f80bd2a44bcf9949a41eca1cf7b52577081b61 +size 5445970 diff --git a/QM9_tddft/raw/03698.pt b/QM9_tddft/raw/03698.pt new file mode 100644 index 0000000000000000000000000000000000000000..ddff52ae209e2d23f85f05ed81937a040e40de15 --- /dev/null +++ b/QM9_tddft/raw/03698.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb7d216c7ea7878f83eda9d7184861322ba0bb6a84e1f90fd2746cf2a111516a +size 4490130 diff --git a/QM9_tddft/raw/03700.pt b/QM9_tddft/raw/03700.pt new file mode 100644 index 0000000000000000000000000000000000000000..e5764c5b9194d681d192dc2da0bdae9f15949112 --- /dev/null +++ b/QM9_tddft/raw/03700.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:301ff88e0ff755740c75b813e0eb1cc8bcd7b9cac76ca2ef599c63aab39b44dd +size 4170066 diff --git a/QM9_tddft/raw/03707.pt b/QM9_tddft/raw/03707.pt new file mode 100644 index 0000000000000000000000000000000000000000..6981f3db71b658674e2210c9414fd2a19e2bb471 --- /dev/null +++ b/QM9_tddft/raw/03707.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a3369c1edbec1ae6aec4a226fa304e3ae6a5bb0225aa70d5726afe0228bd93cb +size 5243090 diff --git a/QM9_tddft/raw/03709.pt b/QM9_tddft/raw/03709.pt new file mode 100644 index 0000000000000000000000000000000000000000..a22b5b516e226ab003973f808676c56b071d31fa --- /dev/null +++ b/QM9_tddft/raw/03709.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32f7eeae73ea97cf924033906a3431ed55ba55edab32379d777f1eca354c0422 +size 5445970 diff --git a/QM9_tddft/raw/03712.pt b/QM9_tddft/raw/03712.pt new file mode 100644 index 0000000000000000000000000000000000000000..37ad1a2cd54e68a638d27e835078775c67ee183d --- /dev/null +++ b/QM9_tddft/raw/03712.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9fa9d99c5147290ac98d030f3fa126fc318f734b02c84de9b3a5a2225033c725 +size 5140242 diff --git a/QM9_tddft/raw/03717.pt b/QM9_tddft/raw/03717.pt new file mode 100644 index 0000000000000000000000000000000000000000..bee1088b8d61b82a58421061cdd40487d46ee456 --- /dev/null +++ b/QM9_tddft/raw/03717.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:61f31e9b3ffc9c3b4a7bd469a1303093bccfe5ca95ec31df29eea246d3dfc4b3 +size 5445970 diff --git a/QM9_tddft/raw/03721.pt b/QM9_tddft/raw/03721.pt new file mode 100644 index 0000000000000000000000000000000000000000..eaa83144a68424183d02c9580e7545ce24c35231 --- /dev/null +++ b/QM9_tddft/raw/03721.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d138fc4b135364f8016e7e1b269e919f1427601ca4c3c836a04788bd1797f258 +size 6443282 diff --git a/QM9_tddft/raw/03722.pt b/QM9_tddft/raw/03722.pt new file mode 100644 index 0000000000000000000000000000000000000000..c99296a224029d7e18904e81f1ec0301d59981b0 --- /dev/null +++ b/QM9_tddft/raw/03722.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5259d5501d31fac03f612258bf9d78173cc5a8d267b04799a143b4421d434607 +size 5445970 diff --git a/QM9_tddft/raw/03726.pt b/QM9_tddft/raw/03726.pt new file mode 100644 index 0000000000000000000000000000000000000000..b717d52911face56997313702701b82e87dfe1c9 --- /dev/null +++ b/QM9_tddft/raw/03726.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94b1654fac3138493f2ff759ac94713dd780724055387fe657d7a989d942b2c3 +size 5445970 diff --git a/QM9_tddft/raw/03729.pt b/QM9_tddft/raw/03729.pt new file mode 100644 index 0000000000000000000000000000000000000000..713f1a3c81a3ce1c4c0f662177dc6081f056765d --- /dev/null +++ b/QM9_tddft/raw/03729.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8679d150f38a6f644eed8ab185c8faba524619ecc079a86f35ec3fa30c58dbf0 +size 5304594 diff --git a/QM9_tddft/raw/03730.pt b/QM9_tddft/raw/03730.pt new file mode 100644 index 0000000000000000000000000000000000000000..e9a6fddc080cb6b97ddb8a2789478964127d4a5a --- /dev/null +++ b/QM9_tddft/raw/03730.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:667fca5a1620bd2dcf995d2184e5791596cf95d4eaa8b60ea7e78515fb4035a0 +size 5277586 diff --git a/QM9_tddft/raw/03732.pt b/QM9_tddft/raw/03732.pt new file mode 100644 index 0000000000000000000000000000000000000000..03b35b256563d86dde923b1eb1d035908532af6e --- /dev/null +++ b/QM9_tddft/raw/03732.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:735a23f6c88d36b3d96b3d8e14fe129467e3c59405d5b8ca5d1a116e2f8b6953 +size 4004178 diff --git a/QM9_tddft/raw/03738.pt b/QM9_tddft/raw/03738.pt new file mode 100644 index 0000000000000000000000000000000000000000..2900fb663ecbbb55e73e9fbd7c75fc843e65fae0 --- /dev/null +++ b/QM9_tddft/raw/03738.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1fd302540323cf1327e77ab2b9da98956c03bd554d2cbfbc140a7c78c87c2811 +size 5109778 diff --git a/QM9_tddft/raw/03752.pt b/QM9_tddft/raw/03752.pt new file mode 100644 index 0000000000000000000000000000000000000000..78b2c59019bc6b1704851715e8aff1e44578b023 --- /dev/null +++ b/QM9_tddft/raw/03752.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa4b1452de812d0b13b4972f13aedefa7b2356df3037c97f7cc72346263ded55 +size 4976530 diff --git a/QM9_tddft/raw/03755.pt b/QM9_tddft/raw/03755.pt new file mode 100644 index 0000000000000000000000000000000000000000..00e349cee171627b6eb4046a1bd726080abedc67 --- /dev/null +++ b/QM9_tddft/raw/03755.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7197de756428f6fdba838731d64cc12d05bcbc0ea164f8089d97f46d8d121f3c +size 4526098 diff --git a/QM9_tddft/raw/03759.pt b/QM9_tddft/raw/03759.pt new file mode 100644 index 0000000000000000000000000000000000000000..69b76f6d36ca833dd43e838877cedc78f76f15ed --- /dev/null +++ b/QM9_tddft/raw/03759.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8df72840fef65af6379bce00434138ed8433d47eb9a45b16091fbef1e4f50e26 +size 5445970 diff --git a/QM9_tddft/raw/03763.pt b/QM9_tddft/raw/03763.pt new file mode 100644 index 0000000000000000000000000000000000000000..67a318c530f9e62dc67fa9259ee2f57177d13c29 --- /dev/null +++ b/QM9_tddft/raw/03763.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd147d9492790ace47fba5b06f61293fa062d247c2d88fd9bbc5ad198fa989c0 +size 4563922 diff --git a/QM9_tddft/raw/03771.pt b/QM9_tddft/raw/03771.pt new file mode 100644 index 0000000000000000000000000000000000000000..18ee61071459078607fc663a414cca012d5b1935 --- /dev/null +++ b/QM9_tddft/raw/03771.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73e07100cd1bbbaa7c02c60d9a38197945d4cff22dbe971fd2a3a31c9b878a6c +size 4490130 diff --git a/QM9_tddft/raw/03776.pt b/QM9_tddft/raw/03776.pt new file mode 100644 index 0000000000000000000000000000000000000000..e4777bcd7190e9f954cab1533aceff97e4c9d9dd --- /dev/null +++ b/QM9_tddft/raw/03776.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bcfc30a097436ce0f629665f467b836abffc1d5826b1b6674af1b4ff7a05eb58 +size 4684370 diff --git a/QM9_tddft/raw/03777.pt b/QM9_tddft/raw/03777.pt new file mode 100644 index 0000000000000000000000000000000000000000..0bc351e11edb86ca154269f4c94fa544273423af --- /dev/null +++ b/QM9_tddft/raw/03777.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b82440ef2e99211da1412e428dc8f3485784d6865cf3dfb5f95619d6c46094b9 +size 5615442 diff --git a/QM9_tddft/raw/03781.pt b/QM9_tddft/raw/03781.pt new file mode 100644 index 0000000000000000000000000000000000000000..c95cc7aaa4bca6a015eb68f4c08805e9a914d5cf --- /dev/null +++ b/QM9_tddft/raw/03781.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4adee02d0dd39cac94a95bcd8dfe789606fdf0bacdd1a615a53100bceac4888e +size 4813650 diff --git a/QM9_tddft/raw/03788.pt b/QM9_tddft/raw/03788.pt new file mode 100644 index 0000000000000000000000000000000000000000..a90f7f005a61684f5ff103e73d7198b93733e792 --- /dev/null +++ b/QM9_tddft/raw/03788.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21d98dd766368946dd8ec4f0ce10220b23a9827b158b7371af1c972bc0db42bf +size 5785554 diff --git a/QM9_tddft/raw/03794.pt b/QM9_tddft/raw/03794.pt new file mode 100644 index 0000000000000000000000000000000000000000..2608a5704f95a9bfe4980f1ce778455b1c0be688 --- /dev/null +++ b/QM9_tddft/raw/03794.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46abc6b0fa5bab5c99ba42ac73d125b36778f3df8bbd4d240c292ba24c8bdadc +size 4462482 diff --git a/QM9_tddft/raw/03807.pt b/QM9_tddft/raw/03807.pt new file mode 100644 index 0000000000000000000000000000000000000000..af66c57851488604ffa0be2a65f497f88a9e2911 --- /dev/null +++ b/QM9_tddft/raw/03807.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:521457e66ddc6b706b896e34de5c065331ab8e0bda19896df8ac4682d739ea25 +size 5243090 diff --git a/QM9_tddft/raw/03811.pt b/QM9_tddft/raw/03811.pt new file mode 100644 index 0000000000000000000000000000000000000000..5377f2f46f120fbef4833343a14c3ddb58629413 --- /dev/null +++ b/QM9_tddft/raw/03811.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d47c492077df178970f2e3927bee880b8811812ad2bf28e82756b0c59c80be0 +size 4942866 diff --git a/QM9_tddft/raw/03816.pt b/QM9_tddft/raw/03816.pt new file mode 100644 index 0000000000000000000000000000000000000000..e8923774224c8bd952e7ce7673d82c27b25d38a5 --- /dev/null +++ b/QM9_tddft/raw/03816.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5bb0b265f2435cb55db15c4925ea43a97c0f2b37148bae8fe7299985995204b1 +size 5445970 diff --git a/QM9_tddft/raw/03817.pt b/QM9_tddft/raw/03817.pt new file mode 100644 index 0000000000000000000000000000000000000000..b9329ca0d8739347d70496b5c1212e22e0299f19 --- /dev/null +++ b/QM9_tddft/raw/03817.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aed756b23be0a22d28c35456d927bbf2778773ffdff09d30aeab3a8f9a9d8b7c +size 4684370 diff --git a/QM9_tddft/raw/03820.pt b/QM9_tddft/raw/03820.pt new file mode 100644 index 0000000000000000000000000000000000000000..d360b37f2c37528c6af93ae6cbcf7f2b4f927564 --- /dev/null +++ b/QM9_tddft/raw/03820.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e568807943d373106da10e971355c165816b7acbe08b5c0094c5599a30418b07 +size 5445970 diff --git a/QM9_tddft/raw/03821.pt b/QM9_tddft/raw/03821.pt new file mode 100644 index 0000000000000000000000000000000000000000..b6bf0b61907a65ec47dc583f4cbf5f30280cbdc0 --- /dev/null +++ b/QM9_tddft/raw/03821.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9554f3117fd09e1980fa10b28d35444bdeebf0f311d2f8de2edd5ee08916803 +size 5140242 diff --git a/QM9_tddft/raw/03824.pt b/QM9_tddft/raw/03824.pt new file mode 100644 index 0000000000000000000000000000000000000000..fc38917386451f6d8449a21d4c15cb4dcdcad287 --- /dev/null +++ b/QM9_tddft/raw/03824.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f851c5038ce4f1a729ca84363be95c27199c5be3ff7a063fb68db0b171365c84 +size 5140242 diff --git a/QM9_tddft/raw/03826.pt b/QM9_tddft/raw/03826.pt new file mode 100644 index 0000000000000000000000000000000000000000..c66ceac3a0e098c4e3d9fd21b7f0458d8c4ef6fd --- /dev/null +++ b/QM9_tddft/raw/03826.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48f39546d8868dd5672412511fa6d36a9c64e801e9da1a1df0ef00330c156045 +size 5277586 diff --git a/QM9_tddft/raw/03829.pt b/QM9_tddft/raw/03829.pt new file mode 100644 index 0000000000000000000000000000000000000000..feae9d3b437b3fb78fc6da5c96cb1ddcb8b78da7 --- /dev/null +++ b/QM9_tddft/raw/03829.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3dc84de06473decf797aaaf8c4150437cff73eb52c6fb34a548811c25058ff83 +size 5615442 diff --git a/QM9_tddft/raw/03831.pt b/QM9_tddft/raw/03831.pt new file mode 100644 index 0000000000000000000000000000000000000000..424aef967bd49fe2a08367b0448f6ef2d1ab54ff --- /dev/null +++ b/QM9_tddft/raw/03831.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f94852e686a5ecdaf6e6defdee82459d147c0be20de4c74b732a2550e2afa7e7 +size 4490130 diff --git a/QM9_tddft/raw/03832.pt b/QM9_tddft/raw/03832.pt new file mode 100644 index 0000000000000000000000000000000000000000..eeebfa263fea6f4fdc0d218a198e4b880c09382c --- /dev/null +++ b/QM9_tddft/raw/03832.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54117dbad9aefccd172f8688ffa2fe19a2f048f8ffbea45198e4d30adcdf1ec0 +size 5277586 diff --git a/QM9_tddft/raw/03845.pt b/QM9_tddft/raw/03845.pt new file mode 100644 index 0000000000000000000000000000000000000000..60c2a17b81744e468a4ecb9f92cb1e67e38bf3b7 --- /dev/null +++ b/QM9_tddft/raw/03845.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03b6631672ea0d3b6f834eca083b87388a544023a657d5d845c97b2583a1020b +size 6084562 diff --git a/QM9_tddft/raw/03852.pt b/QM9_tddft/raw/03852.pt new file mode 100644 index 0000000000000000000000000000000000000000..0ecfd558a34dd3d03f49ac1a504ce940c8f7adb6 --- /dev/null +++ b/QM9_tddft/raw/03852.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:98b2514fa0271e0f9d2ac871591accc677d40b308fe2c58f319183a1a9c3c593 +size 4651346 diff --git a/QM9_tddft/raw/03853.pt b/QM9_tddft/raw/03853.pt new file mode 100644 index 0000000000000000000000000000000000000000..738bac85286810df7b423fbcfa3dd44c0257e764 --- /dev/null +++ b/QM9_tddft/raw/03853.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:92edfa71df58402b265f2aca6688fe2183c9ffa43d872bf2f88ac3b977853600 +size 5277586 diff --git a/QM9_tddft/raw/03855.pt b/QM9_tddft/raw/03855.pt new file mode 100644 index 0000000000000000000000000000000000000000..cc03009cbb79a5071003f36772f25699d4f5a7ef --- /dev/null +++ b/QM9_tddft/raw/03855.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e8af55c90fd8be9d9692b95fc7158d64ac0944bafddcbe60e79ec723dc0d989 +size 3263634 diff --git a/QM9_tddft/raw/03860.pt b/QM9_tddft/raw/03860.pt new file mode 100644 index 0000000000000000000000000000000000000000..e3d610131972fcf45c5eb6310d51ef6b87ec2c68 --- /dev/null +++ b/QM9_tddft/raw/03860.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fe7d97fefe1d6e01454ddd9f154e8b34d68aeffaca347d13e23502fee4d6502 +size 4368978 diff --git a/QM9_tddft/raw/03863.pt b/QM9_tddft/raw/03863.pt new file mode 100644 index 0000000000000000000000000000000000000000..b44d8fa26457dcfe3296fceabc9ac076859fd72c --- /dev/null +++ b/QM9_tddft/raw/03863.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34f8b85e6b8de3375ce4efea0d1bac4ab0c8d77e05fb7b9f1e05cdca02321255 +size 5277586 diff --git a/QM9_tddft/raw/03871.pt b/QM9_tddft/raw/03871.pt new file mode 100644 index 0000000000000000000000000000000000000000..1b0881855ea8a548f4bbb27200a487c956239446 --- /dev/null +++ b/QM9_tddft/raw/03871.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a619efc24a08b5a0fe32423e496148443590eb29966b93cda9428166bd5e5c3 +size 5728850 diff --git a/QM9_tddft/raw/03872.pt b/QM9_tddft/raw/03872.pt new file mode 100644 index 0000000000000000000000000000000000000000..c76dc53ed934ffeb8610cb4a4037704ba646b503 --- /dev/null +++ b/QM9_tddft/raw/03872.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d1068a709e7c219b21c2ed08e99012aa2791340eabb24a0c9e37516b929539e +size 4813650 diff --git a/QM9_tddft/raw/03875.pt b/QM9_tddft/raw/03875.pt new file mode 100644 index 0000000000000000000000000000000000000000..f0b84d4a4193019fc6036a5beb35a6d9828d535f --- /dev/null +++ b/QM9_tddft/raw/03875.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b4a8545c227c71a2a6a14eaccfcaf13107edb79dd4c2d54191c569e0119d009 +size 5445970 diff --git a/QM9_tddft/raw/03882.pt b/QM9_tddft/raw/03882.pt new file mode 100644 index 0000000000000000000000000000000000000000..6b23d1cd71ad2737a6268cdf924c1f0fb1e562be --- /dev/null +++ b/QM9_tddft/raw/03882.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8263b466721c962149a605396b162afb945592dc6f42e4758445f8c114ad17f4 +size 4813650 diff --git a/QM9_tddft/raw/03886.pt b/QM9_tddft/raw/03886.pt new file mode 100644 index 0000000000000000000000000000000000000000..95a21ccf054c067617f3c4dc878a1aba2d11b013 --- /dev/null +++ b/QM9_tddft/raw/03886.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f88b44597572933b6a0914175e4f9b64593e4ba337a66eb5739721d487a3a80d +size 6109970 diff --git a/QM9_tddft/raw/03892.pt b/QM9_tddft/raw/03892.pt new file mode 100644 index 0000000000000000000000000000000000000000..536d08117cf1b6980da4489b59346ad37196d8d7 --- /dev/null +++ b/QM9_tddft/raw/03892.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f18ac45833b3de2ce4661a52437b530dec95e2a05021f57ff4cefe68e60f8080 +size 5934994 diff --git a/QM9_tddft/raw/03894.pt b/QM9_tddft/raw/03894.pt new file mode 100644 index 0000000000000000000000000000000000000000..bd9b94c22e691667638e031c4694d43abf8f7c6e --- /dev/null +++ b/QM9_tddft/raw/03894.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa202a5fd1e371c14079a8afb45cda872e54b8e1e0801b837e5c92665beb9e93 +size 4976530 diff --git a/QM9_tddft/raw/03898.pt b/QM9_tddft/raw/03898.pt new file mode 100644 index 0000000000000000000000000000000000000000..3f3e16d7043c32c92d26a16c15506d662e677b73 --- /dev/null +++ b/QM9_tddft/raw/03898.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b69b9994462ad3ed62c827d72216bac1492ec18bf12d5d0bf8893b5f44237f9 +size 6263570 diff --git a/QM9_tddft/raw/03903.pt b/QM9_tddft/raw/03903.pt new file mode 100644 index 0000000000000000000000000000000000000000..20b25328976ed9ec9fcf179e970173592f82ed2f --- /dev/null +++ b/QM9_tddft/raw/03903.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d461ec0e729ac58479ac861e27ac606419ac1fb9883d09982a4a40e634d30fb +size 4813650 diff --git a/QM9_tddft/raw/03910.pt b/QM9_tddft/raw/03910.pt new file mode 100644 index 0000000000000000000000000000000000000000..4b4ee42e9583277a735bbd52cd34bd60b94c98c5 --- /dev/null +++ b/QM9_tddft/raw/03910.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9f86939761f921645559d5957d4fa99e35b5f218dc998644f1622c0a4fed89b +size 5109778 diff --git a/QM9_tddft/raw/03911.pt b/QM9_tddft/raw/03911.pt new file mode 100644 index 0000000000000000000000000000000000000000..f9d5b8fcf921c5d5b7f4d405bb86f9ccffe7d9ea --- /dev/null +++ b/QM9_tddft/raw/03911.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60a63ece1f09c94917e721b4876bb73521b8f73f9f64fb2b79d06bb148bddbd8 +size 4942866 diff --git a/QM9_tddft/raw/03912.pt b/QM9_tddft/raw/03912.pt new file mode 100644 index 0000000000000000000000000000000000000000..42a3c067735fb624210cc8049346420ea393c8ef --- /dev/null +++ b/QM9_tddft/raw/03912.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5382f6d15687552e592da7542df452ec2ef862f382a1165de03c648a5d741c18 +size 4906898 diff --git a/QM9_tddft/raw/03919.pt b/QM9_tddft/raw/03919.pt new file mode 100644 index 0000000000000000000000000000000000000000..50b7e23068900241dc8fc9d89843bf8e52379ca2 --- /dev/null +++ b/QM9_tddft/raw/03919.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9bf3b6d1835109cc00e454f4a5a0fd09be5561c9eb38ce4cedd2695961d8d8bb +size 5615442 diff --git a/QM9_tddft/raw/03920.pt b/QM9_tddft/raw/03920.pt new file mode 100644 index 0000000000000000000000000000000000000000..9ff36cda1c30491a60b77dd84a53c4062017f1bd --- /dev/null +++ b/QM9_tddft/raw/03920.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2bc2e7ee461ce6b6d7d86a61da2ad2c99635d77037da091bf0fa3b6b18fa87de +size 5277586 diff --git a/QM9_tddft/raw/03922.pt b/QM9_tddft/raw/03922.pt new file mode 100644 index 0000000000000000000000000000000000000000..74b396e96873bc5c3bfe7db7151b2b7cc204bd19 --- /dev/null +++ b/QM9_tddft/raw/03922.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d7eadaa208ffc8c8c1e7ab83f7ce8c832db436983d4af795d5fdea183cbcd3f +size 5140242 diff --git a/QM9_tddft/raw/03928.pt b/QM9_tddft/raw/03928.pt new file mode 100644 index 0000000000000000000000000000000000000000..6fb19360d9f91ac455354c9558206e808b243d09 --- /dev/null +++ b/QM9_tddft/raw/03928.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93ea0ea8fc9f14d34a22a64695398c148f6e28ad29208dc53dad7a3cd6a1b1cc +size 4368978 diff --git a/QM9_tddft/raw/03941.pt b/QM9_tddft/raw/03941.pt new file mode 100644 index 0000000000000000000000000000000000000000..4c36c8d840c81357cb49b701518f6786d6e50a94 --- /dev/null +++ b/QM9_tddft/raw/03941.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8074c6b121cb32db80a38e14cd09bf40aa5af830b6bd3394b2e09d5d01b13b8 +size 4813650 diff --git a/QM9_tddft/raw/03944.pt b/QM9_tddft/raw/03944.pt new file mode 100644 index 0000000000000000000000000000000000000000..0072ff5993126ed9cf43a36f8faac73322037b66 --- /dev/null +++ b/QM9_tddft/raw/03944.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e90e8172f53729a7c5e3876456af85c4307cfd79c718164aae1f079a54c9a3e +size 4056978 diff --git a/QM9_tddft/raw/03946.pt b/QM9_tddft/raw/03946.pt new file mode 100644 index 0000000000000000000000000000000000000000..c7dd43298090f0866365f704f81d5098a71ce693 --- /dev/null +++ b/QM9_tddft/raw/03946.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:efa953c2347fb0fbb76af2b6f075b89ebce10d13b0e7144cfa35ffffed4abd5c +size 5615442 diff --git a/QM9_tddft/raw/03950.pt b/QM9_tddft/raw/03950.pt new file mode 100644 index 0000000000000000000000000000000000000000..7ab31c0b4f719eb442dcbae554bfcf9d213be44d --- /dev/null +++ b/QM9_tddft/raw/03950.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:20ec7140756df0c16943b698a104472cee7e1c97cb7508db25b67a4229216541 +size 5277586 diff --git a/QM9_tddft/raw/03951.pt b/QM9_tddft/raw/03951.pt new file mode 100644 index 0000000000000000000000000000000000000000..2f0c9b10e64102e7582094b129d5e9f4c59ec071 --- /dev/null +++ b/QM9_tddft/raw/03951.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3287e2183848f4a298371d67cdbcbeb298a6eefb996026a987067091ab8907ea +size 4813650 diff --git a/QM9_tddft/raw/03953.pt b/QM9_tddft/raw/03953.pt new file mode 100644 index 0000000000000000000000000000000000000000..10284a8497a4c716f8a95fc2437dfa07f1172c25 --- /dev/null +++ b/QM9_tddft/raw/03953.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:610ea21b501039b6d04afcce458b50c4f1de0232926feab4e07af6eb5627dd3a +size 4684370 diff --git a/QM9_tddft/raw/03957.pt b/QM9_tddft/raw/03957.pt new file mode 100644 index 0000000000000000000000000000000000000000..06f5aa7e0c535e1b4d6f69b433af038f0cae4a46 --- /dev/null +++ b/QM9_tddft/raw/03957.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02b8015b016a8b7af67fc0d04c7a374f4ea6ff29c29c7f230531e94ccfe42642 +size 6263570 diff --git a/QM9_tddft/raw/03960.pt b/QM9_tddft/raw/03960.pt new file mode 100644 index 0000000000000000000000000000000000000000..5f693a7a9571b2db1c0cb591ed0c0059928e38a0 --- /dev/null +++ b/QM9_tddft/raw/03960.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a6af953227ddde40df40b23d25a7dd7ea599a9bc476b256f51d08b8e020b8e40 +size 5414930 diff --git a/QM9_tddft/raw/03965.pt b/QM9_tddft/raw/03965.pt new file mode 100644 index 0000000000000000000000000000000000000000..6b076851f72b0b83902bf8a01e0c23b6869e700d --- /dev/null +++ b/QM9_tddft/raw/03965.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d3bcff76b3976bc34bba7dfbdca9d267e16c93cd61129331a82bee1fcce69ca +size 4037394 diff --git a/QM9_tddft/raw/03969.pt b/QM9_tddft/raw/03969.pt new file mode 100644 index 0000000000000000000000000000000000000000..78b385de2415c8753bbbeedc4503f8e8932178b5 --- /dev/null +++ b/QM9_tddft/raw/03969.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c327a79f887b573f8c7a13953d887dd091af17772c5d34041da0756538aba9e +size 5072146 diff --git a/QM9_tddft/raw/03976.pt b/QM9_tddft/raw/03976.pt new file mode 100644 index 0000000000000000000000000000000000000000..5befcee1a63b3e2395e30fe91c27f3c829605e20 --- /dev/null +++ b/QM9_tddft/raw/03976.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d11416d94fad6ff197cdbbc6a813aa8a101ff460844d3ac067a8bc579e19a0b3 +size 4776530 diff --git a/QM9_tddft/raw/03996.pt b/QM9_tddft/raw/03996.pt new file mode 100644 index 0000000000000000000000000000000000000000..1858427978f5477529cdf2732054ff7da0ff49c0 --- /dev/null +++ b/QM9_tddft/raw/03996.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9b467e2896344f5958de370baec868e7a545806f16c329375044471b821c627 +size 5587346 diff --git a/QM9_tddft/raw/03998.pt b/QM9_tddft/raw/03998.pt new file mode 100644 index 0000000000000000000000000000000000000000..4d7f4d4f04416dafe78c312795b62cd9b15db36c --- /dev/null +++ b/QM9_tddft/raw/03998.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a6856c9278cbe8104b3de3f481d67892f88a8037d82f8eaa207aea9e4b76917 +size 4976530 diff --git a/QM9_tddft/raw/04003.pt b/QM9_tddft/raw/04003.pt new file mode 100644 index 0000000000000000000000000000000000000000..94b552be0ef8179089bd04a7ba4b308a9bca5042 --- /dev/null +++ b/QM9_tddft/raw/04003.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1ddec071406da85f593e8453dfe55bbcd47f1ff3c8e67c36b51407558cd8caa +size 5109778 diff --git a/QM9_tddft/raw/04014.pt b/QM9_tddft/raw/04014.pt new file mode 100644 index 0000000000000000000000000000000000000000..e537927141ae2fc21525b0cc67713ea20d670d7c --- /dev/null +++ b/QM9_tddft/raw/04014.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0302d08e1289539624190d9834c6bfaf4a575366ef40cc294f0e73413e197f2 +size 4462482 diff --git a/QM9_tddft/raw/04015.pt b/QM9_tddft/raw/04015.pt new file mode 100644 index 0000000000000000000000000000000000000000..dfcdbd637ce037a616d43922e7c89e33f6c483ea --- /dev/null +++ b/QM9_tddft/raw/04015.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56818e68dfd126081f4cdb631883ba1f060f4de96d24d475be718d5e1f292b61 +size 5445970 diff --git a/QM9_tddft/raw/04018.pt b/QM9_tddft/raw/04018.pt new file mode 100644 index 0000000000000000000000000000000000000000..b61676035ecdd7a8716d04c9d37fad881169b54b --- /dev/null +++ b/QM9_tddft/raw/04018.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:34530b3253901a6ddcf42861173991a53ddef8725a09b13768899722534159f3 +size 5277586 diff --git a/QM9_tddft/raw/04025.pt b/QM9_tddft/raw/04025.pt new file mode 100644 index 0000000000000000000000000000000000000000..5a8bf25150d4c0e392830c16def486c15187e686 --- /dev/null +++ b/QM9_tddft/raw/04025.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9533cdd1f077ed0b36e5a7c618618c3544301c6bb8bc59b1499e88165fe7c3be +size 5109778 diff --git a/QM9_tddft/raw/04034.pt b/QM9_tddft/raw/04034.pt new file mode 100644 index 0000000000000000000000000000000000000000..b6204db70d0ac595c9adbdb643f966f0ae2a24e1 --- /dev/null +++ b/QM9_tddft/raw/04034.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd52f76c9a48b2c9e4a5e84fdec5200f8cf2f29174609a5ba6ab4d5e4f7feb34 +size 5445970 diff --git a/QM9_tddft/raw/04038.pt b/QM9_tddft/raw/04038.pt new file mode 100644 index 0000000000000000000000000000000000000000..abc2952a444ba3f483a6e45410a23b5a41fc0463 --- /dev/null +++ b/QM9_tddft/raw/04038.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eeb9fc7276fdb6a2f3c896fecee90d91cc2e19148df02da922775d18b0176d95 +size 5956498 diff --git a/QM9_tddft/raw/04039.pt b/QM9_tddft/raw/04039.pt new file mode 100644 index 0000000000000000000000000000000000000000..3cb5e8abf96744df68ec7d61c935b20d6ced9423 --- /dev/null +++ b/QM9_tddft/raw/04039.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ff3af7312c9cf8998edeec60d83b1c106f5ce8f1d08ac62bc00211c41ca8b1a +size 3027346 diff --git a/QM9_tddft/raw/04048.pt b/QM9_tddft/raw/04048.pt new file mode 100644 index 0000000000000000000000000000000000000000..a4c86345a627b6d0570fa27c184fc65060a824d3 --- /dev/null +++ b/QM9_tddft/raw/04048.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d93ccadfe89665aa49c6a3cbcb6c0c68bd6288c319f945f955a339bd5a91684b +size 6263570 diff --git a/QM9_tddft/raw/04052.pt b/QM9_tddft/raw/04052.pt new file mode 100644 index 0000000000000000000000000000000000000000..a22701cab4b86e1a1b5306bba980f74bb86f0804 --- /dev/null +++ b/QM9_tddft/raw/04052.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c0192b56c46c3d215718d863d14a23b87aaaa55abadbf4f5db9ee91978f1b57b +size 5615442 diff --git a/QM9_tddft/raw/04057.pt b/QM9_tddft/raw/04057.pt new file mode 100644 index 0000000000000000000000000000000000000000..ac309cde66a6ac6e93630721c705ee4bc2ceac65 --- /dev/null +++ b/QM9_tddft/raw/04057.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b46529dd8eab7cbf12e4e049389603cc5ffb4020960ce42069dd9d30e3f5914 +size 5140242 diff --git a/QM9_tddft/raw/04062.pt b/QM9_tddft/raw/04062.pt new file mode 100644 index 0000000000000000000000000000000000000000..f7a8c64a30a94e7ff1e4801eb901275d8fc6ad88 --- /dev/null +++ b/QM9_tddft/raw/04062.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd196fca797fce0591752df57ed02e4fe27c9cf241a53509b9e11c9404abb1b2 +size 4813650 diff --git a/QM9_tddft/raw/04064.pt b/QM9_tddft/raw/04064.pt new file mode 100644 index 0000000000000000000000000000000000000000..ab41791adbbff4a9c44df6d0ce3dd67396a3925e --- /dev/null +++ b/QM9_tddft/raw/04064.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:22d0cbe2843336cf562bf521879098a80f68a4b8ef6a039e3e0759b64de7a1c8 +size 5760850 diff --git a/QM9_tddft/raw/04070.pt b/QM9_tddft/raw/04070.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c3a0c39226705a9ba95ac998fe96fbfc0dc3c73 --- /dev/null +++ b/QM9_tddft/raw/04070.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:105aafd89f0489303123cb50e8039cbe961b7a1021676344949533b50bf68497 +size 4813650 diff --git a/QM9_tddft/raw/04087.pt b/QM9_tddft/raw/04087.pt new file mode 100644 index 0000000000000000000000000000000000000000..cae91adc74123212cb139f35669ac63134ac2269 --- /dev/null +++ b/QM9_tddft/raw/04087.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13bfb6721694d8f00e63b39ab9367337f95c23f93f15cea296b068a38f79376b +size 5140242 diff --git a/QM9_tddft/raw/04102.pt b/QM9_tddft/raw/04102.pt new file mode 100644 index 0000000000000000000000000000000000000000..6d757dcea943b0bdb98405a858e82f7fa353fda3 --- /dev/null +++ b/QM9_tddft/raw/04102.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f03af0a59b8b196d6b8fc6b72a25d9b9246c042f442e49d0625942d6505f989 +size 3889618 diff --git a/QM9_tddft/raw/04105.pt b/QM9_tddft/raw/04105.pt new file mode 100644 index 0000000000000000000000000000000000000000..5a360ec24c20420b6c19d2a448b2d89b594f1d65 --- /dev/null +++ b/QM9_tddft/raw/04105.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:030a880f60fca4ad2c442c941c01fa0c3cbab1e8474f9a1d3513113cc2e9d59e +size 6443282 diff --git a/QM9_tddft/raw/04107.pt b/QM9_tddft/raw/04107.pt new file mode 100644 index 0000000000000000000000000000000000000000..400759b2aa71bb90c44c6d1ecee3a54aaca66c1d --- /dev/null +++ b/QM9_tddft/raw/04107.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6b5ca8103511c3bc610fbe7d1318d8abdd1791e8952e9cfb690c975e0a47d8a +size 5414930 diff --git a/QM9_tddft/raw/04113.pt b/QM9_tddft/raw/04113.pt new file mode 100644 index 0000000000000000000000000000000000000000..9c77350bdb57ade1cfc3e7c6b904e323ff19c83d --- /dev/null +++ b/QM9_tddft/raw/04113.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7ad1c7128c3140bd89bb888c23206156ae97c10f4c65bf8dde9b2287d35a4d1 +size 4490130 diff --git a/QM9_tddft/raw/04118.pt b/QM9_tddft/raw/04118.pt new file mode 100644 index 0000000000000000000000000000000000000000..31421dbf467bdb791009cde4f84ef0841f2d9de0 --- /dev/null +++ b/QM9_tddft/raw/04118.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:520b8c33b8bb650ccdaab2fb1dedb252497310b875198be83e820476bb7cbf06 +size 4156050 diff --git a/QM9_tddft/raw/04120.pt b/QM9_tddft/raw/04120.pt new file mode 100644 index 0000000000000000000000000000000000000000..6d75c6042fcde610e648bc9f789a6c840176632b --- /dev/null +++ b/QM9_tddft/raw/04120.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0952a4a4af7b957686ba9243df942cd72a28ba14559f957933a6d3dff797d691 +size 3553170 diff --git a/QM9_tddft/raw/04121.pt b/QM9_tddft/raw/04121.pt new file mode 100644 index 0000000000000000000000000000000000000000..a90cb3b6d77d1bec5f5944a5881e83901f4243be --- /dev/null +++ b/QM9_tddft/raw/04121.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:482fae2daca1f5369abbbeacbc1ac5b0b73b3490a002135f8b60619a6e4df993 +size 4976530 diff --git a/QM9_tddft/raw/04123.pt b/QM9_tddft/raw/04123.pt new file mode 100644 index 0000000000000000000000000000000000000000..190c05672a2209a19bca56baf95a23b63cc06284 --- /dev/null +++ b/QM9_tddft/raw/04123.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bafefb2b9733fcb7d07a5592d8b95108e7b827b8ae25607b4132f47ff49c14a6 +size 4843218 diff --git a/QM9_tddft/raw/04133.pt b/QM9_tddft/raw/04133.pt new file mode 100644 index 0000000000000000000000000000000000000000..e1649292338050dc787a7523ad4355ee658f6a9d --- /dev/null +++ b/QM9_tddft/raw/04133.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30a7df5e66098d3d92f8e265f9547ebcace1748d08a3fddcf13a0de6ddeb8ba5 +size 4004178 diff --git a/QM9_tddft/raw/04136.pt b/QM9_tddft/raw/04136.pt new file mode 100644 index 0000000000000000000000000000000000000000..f62c4d2b97c73a6fba9926d452dae40a9c56a212 --- /dev/null +++ b/QM9_tddft/raw/04136.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a5feb1edf5c49fa98e14d69b6274207c45935d86060555f8f844720a598512e7 +size 4813650 diff --git a/QM9_tddft/raw/04139.pt b/QM9_tddft/raw/04139.pt new file mode 100644 index 0000000000000000000000000000000000000000..fe26d7b03edcdb7450ebd3b49a3cddecbe060cc2 --- /dev/null +++ b/QM9_tddft/raw/04139.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cbb2e4f2da453996b98144ec90f8396e72aabab33c5d5925057d5916937ed1ea +size 6263570 diff --git a/QM9_tddft/raw/04140.pt b/QM9_tddft/raw/04140.pt new file mode 100644 index 0000000000000000000000000000000000000000..5d0f0615f092b7f3d3eed0ce100592aee3935d27 --- /dev/null +++ b/QM9_tddft/raw/04140.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47db84b5c6cb8239f97823066fcb109e2a9e6f8c9006b982f692a6780fc09be9 +size 6263570 diff --git a/QM9_tddft/raw/04143.pt b/QM9_tddft/raw/04143.pt new file mode 100644 index 0000000000000000000000000000000000000000..b1f4b2db6b36294b80a56c5001e7e575284aa935 --- /dev/null +++ b/QM9_tddft/raw/04143.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47ca6504103946de5b85942b9773b7852f501d5db974632884be07d147abc3e7 +size 6263570 diff --git a/QM9_tddft/raw/04150.pt b/QM9_tddft/raw/04150.pt new file mode 100644 index 0000000000000000000000000000000000000000..ae95a3c82c153700cbfacaec056ee1d9b4054bc8 --- /dev/null +++ b/QM9_tddft/raw/04150.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5c31b1d59bff85a907415dc2b5c42473d86fb91c4a6beae18f119537a8ae444 +size 3450706 diff --git a/QM9_tddft/raw/04153.pt b/QM9_tddft/raw/04153.pt new file mode 100644 index 0000000000000000000000000000000000000000..c34ba8e442865f493f1c7f74b1a6d03d02226c8a --- /dev/null +++ b/QM9_tddft/raw/04153.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1133157691cfb50d1622068b40b978abd6a8bfa0e074f07b3e2a5e0d4f993064 +size 5906386 diff --git a/QM9_tddft/raw/04156.pt b/QM9_tddft/raw/04156.pt new file mode 100644 index 0000000000000000000000000000000000000000..a1c05a8d8828e1917dc4df0e91666b71e4e86040 --- /dev/null +++ b/QM9_tddft/raw/04156.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be4e14c3bdd926e69a63b757426315a4b3799dbe64da9af718153836fce8dc34 +size 3300434 diff --git a/QM9_tddft/raw/04163.pt b/QM9_tddft/raw/04163.pt new file mode 100644 index 0000000000000000000000000000000000000000..e72849941bb0d2aaab45efbf60dda1bc3afc43b6 --- /dev/null +++ b/QM9_tddft/raw/04163.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1853360c4184b503099bd02e868f9d9341e7959550e0ebf6c1bb1354691ecfa8 +size 5304594 diff --git a/QM9_tddft/raw/04167.pt b/QM9_tddft/raw/04167.pt new file mode 100644 index 0000000000000000000000000000000000000000..485d4aafca23534cfbf55c790d6b94576be3d81a --- /dev/null +++ b/QM9_tddft/raw/04167.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:366312297e43eecd1434132db60e461fddbe47512533ee084e69685b58c737a1 +size 4462482 diff --git a/QM9_tddft/raw/04171.pt b/QM9_tddft/raw/04171.pt new file mode 100644 index 0000000000000000000000000000000000000000..575966d7fcc39e7f4dfa694a65e572f76c19c56d --- /dev/null +++ b/QM9_tddft/raw/04171.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51437c55b1dd098d4e1fa401fde4ce73982d61f344d035f5d254125b9cb817bb +size 6462354 diff --git a/QM9_tddft/raw/04176.pt b/QM9_tddft/raw/04176.pt new file mode 100644 index 0000000000000000000000000000000000000000..65230948c9194ba851378d546b3bc37cc8040ac4 --- /dev/null +++ b/QM9_tddft/raw/04176.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4df0c8fe314675f23463b8ff57a01988bf21191aec59c6026fa0c04d2c73f810 +size 3889618 diff --git a/QM9_tddft/raw/04184.pt b/QM9_tddft/raw/04184.pt new file mode 100644 index 0000000000000000000000000000000000000000..62adfa096afde8220d3c617c2ccb320f708a7e2a --- /dev/null +++ b/QM9_tddft/raw/04184.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:207b0c627b2b646552e9fa26b6481c1cca3ed06086aeb7358ad65f5361b9122a +size 5445970 diff --git a/QM9_tddft/raw/04190.pt b/QM9_tddft/raw/04190.pt new file mode 100644 index 0000000000000000000000000000000000000000..060bd42968c8c5be74d1f8def8b43440215646e7 --- /dev/null +++ b/QM9_tddft/raw/04190.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99ec9cbae01cb52695c973c1707a68da84e26704e5815d5fddafd7f9c28e2b60 +size 5140242 diff --git a/QM9_tddft/raw/04193.pt b/QM9_tddft/raw/04193.pt new file mode 100644 index 0000000000000000000000000000000000000000..c7a58545bce3442190cc5e251a76c6c9d6836d3d --- /dev/null +++ b/QM9_tddft/raw/04193.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06b07bd18f3de6169e435c247724886f8066c767c3f0d879dc0e61cd44f24b6b +size 4400786 diff --git a/QM9_tddft/raw/04205.pt b/QM9_tddft/raw/04205.pt new file mode 100644 index 0000000000000000000000000000000000000000..836afa10fb7b624d046f1af7c0f0543b58372737 --- /dev/null +++ b/QM9_tddft/raw/04205.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d81ad1a5d6e38851ac9a92f94b36bcef9f43297b68a549e89d65e05afc4a2483 +size 5277586 diff --git a/QM9_tddft/raw/04209.pt b/QM9_tddft/raw/04209.pt new file mode 100644 index 0000000000000000000000000000000000000000..09ddb5bb739b62cbc1e7883db25449d227adad86 --- /dev/null +++ b/QM9_tddft/raw/04209.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8462465d2a36e288871b5b9b4a0e420bb5d2d29f1c914df8987f7507feb5831a +size 6197138 diff --git a/QM9_tddft/raw/04212.pt b/QM9_tddft/raw/04212.pt new file mode 100644 index 0000000000000000000000000000000000000000..dcf00bd3b36183e41d3ac4f6c9070da906ab9e2f --- /dev/null +++ b/QM9_tddft/raw/04212.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:109670ca73febdd0ca075726420c8d7a074fb5c0370c66b1f7b5e04ba824ad36 +size 4942866 diff --git a/QM9_tddft/raw/04220.pt b/QM9_tddft/raw/04220.pt new file mode 100644 index 0000000000000000000000000000000000000000..f79b80ba72167d6049e77f609e50679048fe9daf --- /dev/null +++ b/QM9_tddft/raw/04220.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db28ebc1314a98785102241af87f887098f0391219a471374bae288c0fa55edf +size 4942866 diff --git a/QM9_tddft/raw/04222.pt b/QM9_tddft/raw/04222.pt new file mode 100644 index 0000000000000000000000000000000000000000..6f67c0c0c223ca6946d87f4a1d7c7f9c57eb9b56 --- /dev/null +++ b/QM9_tddft/raw/04222.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5ba7b0a5c6ba8197373278bd4304662df22cbb5451400cbc37bd9124eb03b7a +size 3702802 diff --git a/QM9_tddft/raw/04225.pt b/QM9_tddft/raw/04225.pt new file mode 100644 index 0000000000000000000000000000000000000000..201df3c60f82a29b4744de27e28d7f1ec24b098f --- /dev/null +++ b/QM9_tddft/raw/04225.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ba887cd11259f4fd51495f1c816856ad67baa6d04186ca9c8989eed130766b3 +size 3853074 diff --git a/QM9_tddft/raw/04226.pt b/QM9_tddft/raw/04226.pt new file mode 100644 index 0000000000000000000000000000000000000000..abd419e3f26b975574f42bc72498420d47d421d9 --- /dev/null +++ b/QM9_tddft/raw/04226.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18b7aeb308d2ff8c1f8a7759057a39c78d48e1467b6ed36d072f370d2f905306 +size 5370770 diff --git a/QM9_tddft/raw/04228.pt b/QM9_tddft/raw/04228.pt new file mode 100644 index 0000000000000000000000000000000000000000..8863edbe6de4a54d033bc19bf9bef4159b4203fc --- /dev/null +++ b/QM9_tddft/raw/04228.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f8daa9dd3cee616f6223e671b133bd3e651221f38d18fd4dac6cb46a1498e6bf +size 5760850 diff --git a/QM9_tddft/raw/04232.pt b/QM9_tddft/raw/04232.pt new file mode 100644 index 0000000000000000000000000000000000000000..626d5bb5b802b8b091f04d6b4635d10ed33fbf8b --- /dev/null +++ b/QM9_tddft/raw/04232.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:076dab2acc7fbe662acd5635b189ec46632f53c1f50bfa91deb20123824e1d63 +size 5277586 diff --git a/QM9_tddft/raw/04233.pt b/QM9_tddft/raw/04233.pt new file mode 100644 index 0000000000000000000000000000000000000000..ef7f835ae75a9505e1a5f7ab85dbf1cefdf319e0 --- /dev/null +++ b/QM9_tddft/raw/04233.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb0507e24ea6db28b4647d58197cd32fdfd53317009e3cbe1fd144bf9418ca8a +size 5277586 diff --git a/QM9_tddft/raw/04239.pt b/QM9_tddft/raw/04239.pt new file mode 100644 index 0000000000000000000000000000000000000000..0e1fe4677d6049c5814b404251236876e91c4b5a --- /dev/null +++ b/QM9_tddft/raw/04239.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3290fe28042e5e7c1806a388638690470f17c7e2d26b68147e0c40d9c1019b03 +size 4776530 diff --git a/QM9_tddft/raw/04242.pt b/QM9_tddft/raw/04242.pt new file mode 100644 index 0000000000000000000000000000000000000000..665c4e6389fdad9dfc4d582a6bf321ba62751767 --- /dev/null +++ b/QM9_tddft/raw/04242.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ba420a92219215ad80c616e6092c81f13ccce23d8454f8ac73d45cb9afb3c6e9 +size 5760850 diff --git a/QM9_tddft/raw/04251.pt b/QM9_tddft/raw/04251.pt new file mode 100644 index 0000000000000000000000000000000000000000..9e0d5e7bda1625ba0d8b2581130502cd95d91392 --- /dev/null +++ b/QM9_tddft/raw/04251.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec4b92ee7f0bacbe836c9570da9055c46662dbd97360635ff20a0b96bc336546 +size 6263570 diff --git a/QM9_tddft/raw/04253.pt b/QM9_tddft/raw/04253.pt new file mode 100644 index 0000000000000000000000000000000000000000..643160623be84366b7604d5ba11b250b9d242046 --- /dev/null +++ b/QM9_tddft/raw/04253.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:137c730661f5f266ffb9c0d0354c3156f1b10c675a3ace89dfd727b128f350be +size 4273170 diff --git a/QM9_tddft/raw/04259.pt b/QM9_tddft/raw/04259.pt new file mode 100644 index 0000000000000000000000000000000000000000..8d684ac4fdf9883b975c8db37d614bc9d4d0cf98 --- /dev/null +++ b/QM9_tddft/raw/04259.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4341a7a2ff536fc230f7bbbfe799a70abcc7136ef58371d29bd267aa8810db73 +size 4368978 diff --git a/QM9_tddft/raw/04261.pt b/QM9_tddft/raw/04261.pt new file mode 100644 index 0000000000000000000000000000000000000000..f73c42664eb2971fb80d8412a19abebde252ef10 --- /dev/null +++ b/QM9_tddft/raw/04261.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2abba19fe6fb2d1922c64248147c0a5a3930ed6c67ca6f98cc0f563fb8c04d65 +size 5615442 diff --git a/QM9_tddft/raw/04267.pt b/QM9_tddft/raw/04267.pt new file mode 100644 index 0000000000000000000000000000000000000000..a8e95b99dfc575e19ee1d793c7bfcc9b667fb1b7 --- /dev/null +++ b/QM9_tddft/raw/04267.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:962586d370d97b8639c9ead3f410e4a7d7a14ff9b5b1b146109ac2c734fa4f84 +size 4651346 diff --git a/QM9_tddft/raw/04277.pt b/QM9_tddft/raw/04277.pt new file mode 100644 index 0000000000000000000000000000000000000000..cdd5da1e079a0e264ca22ec738908628138b8c11 --- /dev/null +++ b/QM9_tddft/raw/04277.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d80224fcd2f546b1a82f2a9d529992faebd45d4b536c13aa0b070130ef8faf8b +size 5587346 diff --git a/QM9_tddft/raw/04279.pt b/QM9_tddft/raw/04279.pt new file mode 100644 index 0000000000000000000000000000000000000000..a1f0eff6d764d84154160e03f6d9c776b667e066 --- /dev/null +++ b/QM9_tddft/raw/04279.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3351fb5d16cb07f248439d6584e5f78af1931cce65d708ce3f024f2b725afbbb +size 4526098 diff --git a/QM9_tddft/raw/04284.pt b/QM9_tddft/raw/04284.pt new file mode 100644 index 0000000000000000000000000000000000000000..59cd44169c3e2955e360086e1b05483f79b45359 --- /dev/null +++ b/QM9_tddft/raw/04284.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:826fcbc523b06ab30cef579aa03f5cd91aa14a2161d4e7c42444c60c9f20bb87 +size 5140242 diff --git a/QM9_tddft/raw/04288.pt b/QM9_tddft/raw/04288.pt new file mode 100644 index 0000000000000000000000000000000000000000..0e18b90ab7e270f2fcbaa737296c617cd8231751 --- /dev/null +++ b/QM9_tddft/raw/04288.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd2582c2194815732678a1ea4052551f474b814965f3d42c69c2874115f5777b +size 5109778 diff --git a/QM9_tddft/raw/04298.pt b/QM9_tddft/raw/04298.pt new file mode 100644 index 0000000000000000000000000000000000000000..51176927cbf37de67cbe09bceb19de8a740a2969 --- /dev/null +++ b/QM9_tddft/raw/04298.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5cf34aa747d708bd88bdc0b74e2b5ad762fd9ae8abce4cecf92463368eb8f242 +size 4368978 diff --git a/QM9_tddft/raw/04301.pt b/QM9_tddft/raw/04301.pt new file mode 100644 index 0000000000000000000000000000000000000000..985e9d30e0008c34a31984f38b6a8db8917d6f7a --- /dev/null +++ b/QM9_tddft/raw/04301.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38d66eaf514fd81e39161764d3ea4fd987f1af6246030e80b565fc868b9d4ade +size 4368978 diff --git a/QM9_tddft/raw/04302.pt b/QM9_tddft/raw/04302.pt new file mode 100644 index 0000000000000000000000000000000000000000..ff28596fa4ace8c40dec21b5acf74071cec5144c --- /dev/null +++ b/QM9_tddft/raw/04302.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5eb75d147515f9e97a891261c1b69ddc7b7b8744ac7f5d1e24bfdd57b44ee902 +size 4308946 diff --git a/QM9_tddft/raw/04324.pt b/QM9_tddft/raw/04324.pt new file mode 100644 index 0000000000000000000000000000000000000000..5408ef58a2fd359c458e9c52a89af1b9eef9200c --- /dev/null +++ b/QM9_tddft/raw/04324.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:27064be5a84152c1b2f85021c96e640393642c0e52717e7b68194fa39ebe11f7 +size 4976530 diff --git a/QM9_tddft/raw/04335.pt b/QM9_tddft/raw/04335.pt new file mode 100644 index 0000000000000000000000000000000000000000..f7f48ce1aa6f79b540acae142d039fe38afe3e68 --- /dev/null +++ b/QM9_tddft/raw/04335.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fdc5af904b35899e4c2d5f758cef3b192993923c25b64c82cb4603821854ed6 +size 4684370 diff --git a/QM9_tddft/raw/04337.pt b/QM9_tddft/raw/04337.pt new file mode 100644 index 0000000000000000000000000000000000000000..70fd7e14da7b8c3fba671f48a625e5867504c05c --- /dev/null +++ b/QM9_tddft/raw/04337.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acf925ae6155679d189f27fad8e4fe3b57ea423d284e67bd1a11d06cbf6c186f +size 4368978 diff --git a/QM9_tddft/raw/04338.pt b/QM9_tddft/raw/04338.pt new file mode 100644 index 0000000000000000000000000000000000000000..a902dbcb2e176bfe0fc6691c0ca332d07b4026e4 --- /dev/null +++ b/QM9_tddft/raw/04338.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:761b63445780ae66009a8e836ff76bea6ff209367638b70fae01b0bbc72d4dab +size 5445970 diff --git a/QM9_tddft/raw/04342.pt b/QM9_tddft/raw/04342.pt new file mode 100644 index 0000000000000000000000000000000000000000..f782513fecea8b87a4823b09c856ec1c6d1b983e --- /dev/null +++ b/QM9_tddft/raw/04342.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46949d7a1e58ca0e42520693976ac6ed853c31fd1e2f0c7f90cbe4ba44cd0d8f +size 5227730 diff --git a/QM9_tddft/raw/04352.pt b/QM9_tddft/raw/04352.pt new file mode 100644 index 0000000000000000000000000000000000000000..10c78f6098fd5b3b29ce2042000b724eda949aba --- /dev/null +++ b/QM9_tddft/raw/04352.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dcb337d32879b67b841fabf2cebb40700fb138181518725d0e8ed6c2e1c1ae70 +size 5277586 diff --git a/QM9_tddft/raw/04356.pt b/QM9_tddft/raw/04356.pt new file mode 100644 index 0000000000000000000000000000000000000000..4b13f0e58c00049bd6c00cdee49d8ffd45374538 --- /dev/null +++ b/QM9_tddft/raw/04356.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85d5876794bee1d37697df98926ba527156facc83f9fb37ca69edda6924d9c73 +size 4813650 diff --git a/QM9_tddft/raw/04359.pt b/QM9_tddft/raw/04359.pt new file mode 100644 index 0000000000000000000000000000000000000000..8837791376cad9d868f40b23df5d13962a124946 --- /dev/null +++ b/QM9_tddft/raw/04359.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0d4864f0a1860da6fc9f73b0a1151480ae8d2067acf2062263d45deafe53225 +size 4526098 diff --git a/QM9_tddft/raw/04362.pt b/QM9_tddft/raw/04362.pt new file mode 100644 index 0000000000000000000000000000000000000000..949bab65c2cebc8a801c85c60ca91cdadf1236bd --- /dev/null +++ b/QM9_tddft/raw/04362.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:01a0851cb1855cb84b693bde609b9c75e7841b9e47c82b501cf63bbb028c7949 +size 4526098 diff --git a/QM9_tddft/raw/04365.pt b/QM9_tddft/raw/04365.pt new file mode 100644 index 0000000000000000000000000000000000000000..2726768934d281e89e04b2d84060269cff75136c --- /dev/null +++ b/QM9_tddft/raw/04365.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76d45063d0fe22e26bac356b2a038c4a61bf5fdbf57a93313701ff9d98d4767e +size 6263570 diff --git a/QM9_tddft/raw/04371.pt b/QM9_tddft/raw/04371.pt new file mode 100644 index 0000000000000000000000000000000000000000..6e9253ef9dc3de3f66e9114e475690049cc55b0b --- /dev/null +++ b/QM9_tddft/raw/04371.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1cf44bdd768638b0f667a4f14876ef8062dd6a3bd8170d38189b7848e6f48dd3 +size 6109970 diff --git a/QM9_tddft/raw/04372.pt b/QM9_tddft/raw/04372.pt new file mode 100644 index 0000000000000000000000000000000000000000..65d7ce34264e069d1429341e7c5c767702313f41 --- /dev/null +++ b/QM9_tddft/raw/04372.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bf92599fe4b39dd1771835e12982c7a4640a0a72e937ae8ada964b695c9fee95 +size 4212498 diff --git a/QM9_tddft/raw/04379.pt b/QM9_tddft/raw/04379.pt new file mode 100644 index 0000000000000000000000000000000000000000..43959b115e2720742ea33536cc2e44ba7fe110ee --- /dev/null +++ b/QM9_tddft/raw/04379.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0de7cb1c5e827fa31c1307ca81eca06a7e52e2c64c3476b70fb4e1f67a6517c1 +size 5956498 diff --git a/QM9_tddft/raw/04388.pt b/QM9_tddft/raw/04388.pt new file mode 100644 index 0000000000000000000000000000000000000000..29450167144dce425ec6df4d0f13663437baed86 --- /dev/null +++ b/QM9_tddft/raw/04388.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5daf32d59270c8cb380ef18821634e8f97a51ccdbccbd5a4bfcb56149ac2bfd4 +size 5615442 diff --git a/QM9_tddft/raw/04401.pt b/QM9_tddft/raw/04401.pt new file mode 100644 index 0000000000000000000000000000000000000000..8fad5e681d09eb5fae837b61051330309f7e73b5 --- /dev/null +++ b/QM9_tddft/raw/04401.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0a1191c254e6644e3e66ac721eac7cb1320ecc0b68a142a31d9111f60d061cbd +size 4462482 diff --git a/QM9_tddft/raw/04407.pt b/QM9_tddft/raw/04407.pt new file mode 100644 index 0000000000000000000000000000000000000000..e59e87ab1e242d3b25e78c0cf4729fc15cd8e455 --- /dev/null +++ b/QM9_tddft/raw/04407.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d1be0b619c21006dde6e5816963da48cb9fd3f25e7923d4c6ec33460472bcf5 +size 5109778 diff --git a/QM9_tddft/raw/04414.pt b/QM9_tddft/raw/04414.pt new file mode 100644 index 0000000000000000000000000000000000000000..d7e0bc42d4257573d9451f808e45224a281a1f72 --- /dev/null +++ b/QM9_tddft/raw/04414.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab462108750dad21254d170c738894aec4fc3fcf62cd5bc3e2a6552ddd6504c3 +size 4004178 diff --git a/QM9_tddft/raw/04415.pt b/QM9_tddft/raw/04415.pt new file mode 100644 index 0000000000000000000000000000000000000000..9b7d6e80a51d0f3308564ad1ecbf1b2fa6fab0d2 --- /dev/null +++ b/QM9_tddft/raw/04415.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78bace2c3a04cbd6114bdce2e2446acd1239d9b628bb66b6a4154f2f6b3baf67 +size 5587346 diff --git a/QM9_tddft/raw/04418.pt b/QM9_tddft/raw/04418.pt new file mode 100644 index 0000000000000000000000000000000000000000..fc912185540a8850f20ce83730e904d724c30a9e --- /dev/null +++ b/QM9_tddft/raw/04418.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5480d148ee027cbf90a4101fb753ce80699634990bebe5c90fd5dc464a0cdbb6 +size 5109778 diff --git a/QM9_tddft/raw/04430.pt b/QM9_tddft/raw/04430.pt new file mode 100644 index 0000000000000000000000000000000000000000..03ab2ffb273397bf5379645e8f9afd92340fdf2b --- /dev/null +++ b/QM9_tddft/raw/04430.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52a8bc311df1723aaf7057f914e1bfe4b4c933183253c17febd6462e7de0ee1a +size 5277586 diff --git a/QM9_tddft/raw/04436.pt b/QM9_tddft/raw/04436.pt new file mode 100644 index 0000000000000000000000000000000000000000..cff785432d862e10637f458340521d7970a91c77 --- /dev/null +++ b/QM9_tddft/raw/04436.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f507fa1614f476478c6fa085607597522f4201b75480d5b1490cf4e6730ab849 +size 5587346 diff --git a/QM9_tddft/raw/04438.pt b/QM9_tddft/raw/04438.pt new file mode 100644 index 0000000000000000000000000000000000000000..7ed1932765702df2fb9226ec29f5c8127b15e854 --- /dev/null +++ b/QM9_tddft/raw/04438.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c59b6fe442c5391ab8477bcd6a2dbd3b20bff9dd01988499a83ec364845eb098 +size 3943698 diff --git a/QM9_tddft/raw/04440.pt b/QM9_tddft/raw/04440.pt new file mode 100644 index 0000000000000000000000000000000000000000..48a40fa20dac0344cd7eba0f2ae6a5c338b61294 --- /dev/null +++ b/QM9_tddft/raw/04440.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d208fd9eca1311804d2cabd470f34b5e60f3818cb635f6019b5c55cb3986744 +size 4212498 diff --git a/QM9_tddft/raw/04444.pt b/QM9_tddft/raw/04444.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c679e2151cfc61f2f344fdababff84c2727a9f2 --- /dev/null +++ b/QM9_tddft/raw/04444.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3212aec36a62d4d3d93fbe6b79ad607991bbfef6615a14289e75fce12a39d230 +size 4976530 diff --git a/QM9_tddft/raw/04458.pt b/QM9_tddft/raw/04458.pt new file mode 100644 index 0000000000000000000000000000000000000000..96e902c6d780b8878ecc814871a41bc6b5c32894 --- /dev/null +++ b/QM9_tddft/raw/04458.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c4da7c6a56d037347f608ad502ccd7f8c29335d81f803db5cc8596330e82e6d +size 5109778 diff --git a/QM9_tddft/raw/04460.pt b/QM9_tddft/raw/04460.pt new file mode 100644 index 0000000000000000000000000000000000000000..d1d6034cbe898a228cf5b7900913fa75082ad671 --- /dev/null +++ b/QM9_tddft/raw/04460.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7cc943219c9f8e99161f02ba3ade1ccb94e864a87d60b46be4560e65973ae18 +size 5470034 diff --git a/QM9_tddft/raw/04470.pt b/QM9_tddft/raw/04470.pt new file mode 100644 index 0000000000000000000000000000000000000000..77ef13c8693c7c7a06ce42a3d656a1113607ca34 --- /dev/null +++ b/QM9_tddft/raw/04470.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5176e84eb1f2a8e35a1139bad66869a19d99d90308fcf25f8d348e60c9c54c54 +size 5243090 diff --git a/QM9_tddft/raw/04472.pt b/QM9_tddft/raw/04472.pt new file mode 100644 index 0000000000000000000000000000000000000000..a115bd429a74cd18f6a0c415c5b500b284964f8e --- /dev/null +++ b/QM9_tddft/raw/04472.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6af1b7094041d622ffa7722eb57c66f977b5f49bdbfd213a99608286cbb6eac7 +size 3489554 diff --git a/QM9_tddft/raw/04476.pt b/QM9_tddft/raw/04476.pt new file mode 100644 index 0000000000000000000000000000000000000000..ff5a259f485de31e2b39eb7fca0b15072e284222 --- /dev/null +++ b/QM9_tddft/raw/04476.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8ca612d0a7c5564374550b8efb6d821b67c7824cffad956ab07097172613abc +size 3450706 diff --git a/QM9_tddft/raw/04477.pt b/QM9_tddft/raw/04477.pt new file mode 100644 index 0000000000000000000000000000000000000000..efc518823917a5b4e7639d720bd9e5ebe989a0fa --- /dev/null +++ b/QM9_tddft/raw/04477.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f88989b9d75521ca49f8e273e4f0cda35e260883ebf0a85fa35c02c297e10bfd +size 4976530 diff --git a/QM9_tddft/raw/04478.pt b/QM9_tddft/raw/04478.pt new file mode 100644 index 0000000000000000000000000000000000000000..4b57ad7c71541832064e5cbc02bb7f3b067a5764 --- /dev/null +++ b/QM9_tddft/raw/04478.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:10cef1f20db199ef2be30761659f70a4bcc9a32c7f9511baaff645113c528c2c +size 5243090 diff --git a/QM9_tddft/raw/04481.pt b/QM9_tddft/raw/04481.pt new file mode 100644 index 0000000000000000000000000000000000000000..1d8dc0d32ccac4e2a4640a73f201458b91149b03 --- /dev/null +++ b/QM9_tddft/raw/04481.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:228a1478f27d7410e7108e048e5e9b10feeeb57b3f42a003b20ce78bc43a737e +size 4976530 diff --git a/QM9_tddft/raw/04483.pt b/QM9_tddft/raw/04483.pt new file mode 100644 index 0000000000000000000000000000000000000000..76731c501c7a3a0cb9eadb71111e2ec444dba5c6 --- /dev/null +++ b/QM9_tddft/raw/04483.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7b931a925434b93a3a8c292a9ae3aac91017fe18e2bd387616aba3bfd1b57425 +size 4651346 diff --git a/QM9_tddft/raw/04486.pt b/QM9_tddft/raw/04486.pt new file mode 100644 index 0000000000000000000000000000000000000000..48b31822907faec730e2abd1264d2e7e7e7670d9 --- /dev/null +++ b/QM9_tddft/raw/04486.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13f0e7789709fd7c3b0abcba732f08c0d6a38b44751e0fead1b948c1aeb0b131 +size 6263570 diff --git a/QM9_tddft/raw/04487.pt b/QM9_tddft/raw/04487.pt new file mode 100644 index 0000000000000000000000000000000000000000..5ecb87d5d040240a092d259bd6711d1c00fbe5fc --- /dev/null +++ b/QM9_tddft/raw/04487.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b93da70db69b41341549c4b68ea07b619e9f86f57e1301ecc25ac946903f0e31 +size 4156050 diff --git a/QM9_tddft/raw/04500.pt b/QM9_tddft/raw/04500.pt new file mode 100644 index 0000000000000000000000000000000000000000..cff09b0530b51920561201893d8de4be9e454490 --- /dev/null +++ b/QM9_tddft/raw/04500.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36ce526dc701e01ed121e835c5ddbc16cd79489ae7fea8332820cb850a091839 +size 5277586 diff --git a/QM9_tddft/raw/04505.pt b/QM9_tddft/raw/04505.pt new file mode 100644 index 0000000000000000000000000000000000000000..0865de707cf133f410f792ebd63462520be67a7e --- /dev/null +++ b/QM9_tddft/raw/04505.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1313cbca105637a66deac0c4b898bb5664b770c29be12915c231981030753682 +size 5956498 diff --git a/QM9_tddft/raw/04508.pt b/QM9_tddft/raw/04508.pt new file mode 100644 index 0000000000000000000000000000000000000000..91a8f9f1d6d2ce6cc8d5fc6a607d13dc3550e870 --- /dev/null +++ b/QM9_tddft/raw/04508.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:985b1fbf461ec956f8f8d23b3710fd90ddf22a54a34b3b96853e73d82a365b8f +size 5109778 diff --git a/QM9_tddft/raw/04511.pt b/QM9_tddft/raw/04511.pt new file mode 100644 index 0000000000000000000000000000000000000000..5bbc903f2500aa5edbffcb5462599deb7425af37 --- /dev/null +++ b/QM9_tddft/raw/04511.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b6105078a0b8ddd6a562b9f0cac196d5b525fccccda6a74a9560d1fe6671a58 +size 4651346 diff --git a/QM9_tddft/raw/04518.pt b/QM9_tddft/raw/04518.pt new file mode 100644 index 0000000000000000000000000000000000000000..b04f8f0580f50017be11eb7269183a53885d4861 --- /dev/null +++ b/QM9_tddft/raw/04518.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:513357ea86e95ad7169878d80ff68e5087fa9401de61fedeeb9e7df5f3889d43 +size 4329682 diff --git a/QM9_tddft/raw/04522.pt b/QM9_tddft/raw/04522.pt new file mode 100644 index 0000000000000000000000000000000000000000..8f13804f71aee063cb77ec69c434bf66c8a9d937 --- /dev/null +++ b/QM9_tddft/raw/04522.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db99ab9fb4428f5af8e215c138f99c8da5de6be7b737475529cea668518d15d5 +size 5445970 diff --git a/QM9_tddft/raw/04531.pt b/QM9_tddft/raw/04531.pt new file mode 100644 index 0000000000000000000000000000000000000000..83ea7614ed0f9b9c75a31e20757d3906243aa513 --- /dev/null +++ b/QM9_tddft/raw/04531.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:41fb594763df4b272d6ca4c5eeae721dfca94adeb9530f620d95f39a85bf79c6 +size 5140242 diff --git a/QM9_tddft/raw/04535.pt b/QM9_tddft/raw/04535.pt new file mode 100644 index 0000000000000000000000000000000000000000..c50ca9667ebaec6e9735959e7355b3742123c6bb --- /dev/null +++ b/QM9_tddft/raw/04535.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:115e7eb311ee3e5287fdedb91825ed19850efca2f6938ed8f6fd96b10c2a5148 +size 3742546 diff --git a/QM9_tddft/raw/04550.pt b/QM9_tddft/raw/04550.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c3b588609a44d23978ad3fe7c7143b1eaaa1916 --- /dev/null +++ b/QM9_tddft/raw/04550.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:943fdc6de49decf74b4146695763300c87c6c2c74eb4f7732a9d2448cd05c6df +size 5277586 diff --git a/QM9_tddft/raw/04556.pt b/QM9_tddft/raw/04556.pt new file mode 100644 index 0000000000000000000000000000000000000000..34931b8c72d80eedc7f8ebb494f51ed093014579 --- /dev/null +++ b/QM9_tddft/raw/04556.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76140e654d8a0b97cfa51a23e1155b3974ad3b2446e15703064a481c6f25d0ce +size 4684370 diff --git a/QM9_tddft/raw/04566.pt b/QM9_tddft/raw/04566.pt new file mode 100644 index 0000000000000000000000000000000000000000..60a241819190551a94929ed8ef1a375de081fd6e --- /dev/null +++ b/QM9_tddft/raw/04566.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:631a68ce72f92b0f3b71232e3e39a15f76395d0d57e23abd5e5c0af1902179f0 +size 4329682 diff --git a/QM9_tddft/raw/04568.pt b/QM9_tddft/raw/04568.pt new file mode 100644 index 0000000000000000000000000000000000000000..886a8448efc5fcb0df21fa1907c5bbf88802719e --- /dev/null +++ b/QM9_tddft/raw/04568.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0a8157bbd739696f6a750735b07fd8f6b048dee6d59a3366537934b12fdfd42 +size 5760850 diff --git a/QM9_tddft/raw/04573.pt b/QM9_tddft/raw/04573.pt new file mode 100644 index 0000000000000000000000000000000000000000..48892e92092e0e5dbc634858e2eee81c67f1059b --- /dev/null +++ b/QM9_tddft/raw/04573.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eb28e275b1183418ffdd25185e1811d8f0ca9831be5eccfde03a4152d23ddfab +size 6443282 diff --git a/QM9_tddft/raw/04575.pt b/QM9_tddft/raw/04575.pt new file mode 100644 index 0000000000000000000000000000000000000000..ea8d4b19cee1b0b4176865b97e969169a7fbd339 --- /dev/null +++ b/QM9_tddft/raw/04575.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e7478675ece4bc94c239040cb90454f0ae3abb3776813a5973364edf8b44c60 +size 4011026 diff --git a/QM9_tddft/raw/04577.pt b/QM9_tddft/raw/04577.pt new file mode 100644 index 0000000000000000000000000000000000000000..a7e957e91c89cb9714889987e377d952d4baf97b --- /dev/null +++ b/QM9_tddft/raw/04577.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77581db3b4ebe76d6c27e49631cda2772c1ff52f50027849b0899e652af2a676 +size 5785554 diff --git a/QM9_tddft/raw/04580.pt b/QM9_tddft/raw/04580.pt new file mode 100644 index 0000000000000000000000000000000000000000..b9d1151fd651dd16de5e82306a3ed3bc6e04806f --- /dev/null +++ b/QM9_tddft/raw/04580.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c19e0b41985323549130027383871b2ae71a234deb7e6f6f595a069fca99ffa +size 5140242 diff --git a/QM9_tddft/raw/04590.pt b/QM9_tddft/raw/04590.pt new file mode 100644 index 0000000000000000000000000000000000000000..2c0df23b86b4274ab9abcb538dedfe3bbc621181 --- /dev/null +++ b/QM9_tddft/raw/04590.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a31a5323c5af09ae9a60252fe65546545744aab1b686094ae85ba1e4a54f8a3 +size 4942866 diff --git a/QM9_tddft/raw/04592.pt b/QM9_tddft/raw/04592.pt new file mode 100644 index 0000000000000000000000000000000000000000..8f704c6334b1762605d3a8cd2dd2434bc6204097 --- /dev/null +++ b/QM9_tddft/raw/04592.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:75e8598ebe2d39b530777e5e43efe588ce3ea89ca593e063978d8786f6ac694f +size 6084562 diff --git a/QM9_tddft/raw/04595.pt b/QM9_tddft/raw/04595.pt new file mode 100644 index 0000000000000000000000000000000000000000..abdff98c07548f59fe2787cca59fe036d4322b46 --- /dev/null +++ b/QM9_tddft/raw/04595.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c61d04e2c953b11f879e24b7a9dcc0aae4edc0cb059040dac57d0387db4d42f +size 5277586 diff --git a/QM9_tddft/raw/04599.pt b/QM9_tddft/raw/04599.pt new file mode 100644 index 0000000000000000000000000000000000000000..02bf3b8483e76566f0439cec1e64cc70598691cf --- /dev/null +++ b/QM9_tddft/raw/04599.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32fa02ecd94850b1b163a5ea9f2f5053e438c92448b9866e4cec1b6e32e0899e +size 5934994 diff --git a/QM9_tddft/raw/04602.pt b/QM9_tddft/raw/04602.pt new file mode 100644 index 0000000000000000000000000000000000000000..1c045c3e68d78398bdedf0424cbbc1aea857e816 --- /dev/null +++ b/QM9_tddft/raw/04602.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04781cbc348883ea054e0c18af8ee7727065852b9c7ca4a863f78d6f7701f928 +size 3596306 diff --git a/QM9_tddft/raw/04606.pt b/QM9_tddft/raw/04606.pt new file mode 100644 index 0000000000000000000000000000000000000000..2b49d5b6a2b1f3bf06b111eff514dedbb70047ad --- /dev/null +++ b/QM9_tddft/raw/04606.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c5929123a0a264a3a6a9d71646483372afb77d899c3d9a9f6ad3ce885949a7e +size 5956498 diff --git a/QM9_tddft/raw/04608.pt b/QM9_tddft/raw/04608.pt new file mode 100644 index 0000000000000000000000000000000000000000..e9bc47d8987ffc54f2067b340fa8bb9d8e7f82f2 --- /dev/null +++ b/QM9_tddft/raw/04608.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96a06181f8e42cd5ebaa432bc90ba2e957275bb9eaa10e58387eb157362e500a +size 5615442 diff --git a/QM9_tddft/raw/04613.pt b/QM9_tddft/raw/04613.pt new file mode 100644 index 0000000000000000000000000000000000000000..d3da5aa1490b5ee9dee9b7bddbac33ebcb903d43 --- /dev/null +++ b/QM9_tddft/raw/04613.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70c14ffc4e2c98df7b020934f6bd5db33e5a0e86b919be51a686945c3dea3c4f +size 4942866 diff --git a/QM9_tddft/raw/04616.pt b/QM9_tddft/raw/04616.pt new file mode 100644 index 0000000000000000000000000000000000000000..934d153ac7c92afca05f0571e07ac8600958ec9b --- /dev/null +++ b/QM9_tddft/raw/04616.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea0155a8fb509cdbe452352cf5d088c02802b0fc889aa13d2a877b35e3bf1602 +size 4368978 diff --git a/QM9_tddft/raw/04621.pt b/QM9_tddft/raw/04621.pt new file mode 100644 index 0000000000000000000000000000000000000000..9c04dada051f3239e6a32ddbd02b027ce3596363 --- /dev/null +++ b/QM9_tddft/raw/04621.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d4d7d5572934aa2a7e7ee655256f8ab4b94db305f695e2d59d54b08ca7b246e +size 5109778 diff --git a/QM9_tddft/raw/04622.pt b/QM9_tddft/raw/04622.pt new file mode 100644 index 0000000000000000000000000000000000000000..15a2df7fa5b56db8b562c442736ff6c37134d5a3 --- /dev/null +++ b/QM9_tddft/raw/04622.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b2f78b5640597edfa16560a6d93f0ce34a41b8cea881c801d519ddfb7852b1a +size 4942866 diff --git a/QM9_tddft/raw/04634.pt b/QM9_tddft/raw/04634.pt new file mode 100644 index 0000000000000000000000000000000000000000..73c4794585faf80ca72163aeff8aa4312783bcdb --- /dev/null +++ b/QM9_tddft/raw/04634.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b3ef373ff62b3a10dc15fcabffef51919ac06c82b99dea5c14adcc259ddd228 +size 4095250 diff --git a/QM9_tddft/raw/04639.pt b/QM9_tddft/raw/04639.pt new file mode 100644 index 0000000000000000000000000000000000000000..2dfe72be765b5f0ef1f18eb9fe1fcf9201b727a8 --- /dev/null +++ b/QM9_tddft/raw/04639.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5bdddbe28452e22ac83390a78896bf2aa6f1335e3dc4f00f7008643328aead4b +size 4368978 diff --git a/QM9_tddft/raw/04644.pt b/QM9_tddft/raw/04644.pt new file mode 100644 index 0000000000000000000000000000000000000000..6a915935e3fad9baaec2647a36ed5ace883e58e5 --- /dev/null +++ b/QM9_tddft/raw/04644.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2f545dcb48c60db247f9f2ad631dc1012d00d613154cf0919c3dde8e0ff8417 +size 5277586 diff --git a/QM9_tddft/raw/04649.pt b/QM9_tddft/raw/04649.pt new file mode 100644 index 0000000000000000000000000000000000000000..7f48436b5b2892d1fb34cfc8803a067c03315146 --- /dev/null +++ b/QM9_tddft/raw/04649.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35cf96348b0a21e69590ee9344c2eaaac3c0e8587721503e1df9b90c0f40a228 +size 6084562 diff --git a/QM9_tddft/raw/04656.pt b/QM9_tddft/raw/04656.pt new file mode 100644 index 0000000000000000000000000000000000000000..c435312f1cf57505ff4751abf15071c27d5a21d1 --- /dev/null +++ b/QM9_tddft/raw/04656.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c72b92b9a2bdb5be399cea4777c223a213a8e27722bf57befe0ecae03bf67e0c +size 4526098 diff --git a/QM9_tddft/raw/04657.pt b/QM9_tddft/raw/04657.pt new file mode 100644 index 0000000000000000000000000000000000000000..bdd2dd9424b318ba7e1fe4de705789e1e47748d1 --- /dev/null +++ b/QM9_tddft/raw/04657.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:46eb146d08296ccf310bf321d62cd5f5b4f08139cd091d18d8cdddc03b7bfdc8 +size 4942866 diff --git a/QM9_tddft/raw/04661.pt b/QM9_tddft/raw/04661.pt new file mode 100644 index 0000000000000000000000000000000000000000..58d4c82562362bffeb4c70ed8bba16d35f04d440 --- /dev/null +++ b/QM9_tddft/raw/04661.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4dd60670df0f94c699eac1c6dd7eb2b649a39aece83e1a0b8b0ece8c91b13566 +size 5615442 diff --git a/QM9_tddft/raw/04662.pt b/QM9_tddft/raw/04662.pt new file mode 100644 index 0000000000000000000000000000000000000000..ff26acc234f32b2c972496ed044fd8336b357c95 --- /dev/null +++ b/QM9_tddft/raw/04662.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c2db7babb99a8836f1723e45be9cd3037cedc061b9dd3bb49762758de1ab2c4 +size 5109778 diff --git a/QM9_tddft/raw/04668.pt b/QM9_tddft/raw/04668.pt new file mode 100644 index 0000000000000000000000000000000000000000..1914cc0264f2ed47f0fb647702499afcdbf440b9 --- /dev/null +++ b/QM9_tddft/raw/04668.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a13508fe8d31a137a44317f249d0ab37b7c6e8c508a5a8bc29f4d2ca21f57405 +size 3688786 diff --git a/QM9_tddft/raw/04669.pt b/QM9_tddft/raw/04669.pt new file mode 100644 index 0000000000000000000000000000000000000000..8a250b38bf90e8bf5d79ab37d76172d20c40178c --- /dev/null +++ b/QM9_tddft/raw/04669.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd8ded59abb8e93fd493a869a5ce55bd0a123216561c4ffa588e7caa52a1e9f5 +size 4308946 diff --git a/QM9_tddft/raw/04680.pt b/QM9_tddft/raw/04680.pt new file mode 100644 index 0000000000000000000000000000000000000000..63fe63cecf05681f809142062a96230aa9d276bf --- /dev/null +++ b/QM9_tddft/raw/04680.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:58a35b8715c981a85cd66e92303765f9c984b272eb4c1019b2b2e2c213109409 +size 5445970 diff --git a/QM9_tddft/raw/04683.pt b/QM9_tddft/raw/04683.pt new file mode 100644 index 0000000000000000000000000000000000000000..7465625fe05be48fd062e5555ed6dab97c82e85b --- /dev/null +++ b/QM9_tddft/raw/04683.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3319512f41431179e28e71f40908d0a984f760b963b2ead0350d722052784e5 +size 4813650 diff --git a/QM9_tddft/raw/04686.pt b/QM9_tddft/raw/04686.pt new file mode 100644 index 0000000000000000000000000000000000000000..b311f993ae556a9448eb04863eb2943c5d7d3ffc --- /dev/null +++ b/QM9_tddft/raw/04686.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0bc7f7380f75a6d07d9e533b3469004b09affcf42eb58778855c7cac774cce35 +size 5760850 diff --git a/QM9_tddft/raw/04690.pt b/QM9_tddft/raw/04690.pt new file mode 100644 index 0000000000000000000000000000000000000000..68b625fc25c608d90a79b01da65f0c58b7352c3c --- /dev/null +++ b/QM9_tddft/raw/04690.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e110f990dbe15c38f1619a42fdaef5085b1c815979a1e2afaebb1b08746728d6 +size 4651346 diff --git a/QM9_tddft/raw/04695.pt b/QM9_tddft/raw/04695.pt new file mode 100644 index 0000000000000000000000000000000000000000..c2b77c590f74c8ac141e11226dd81ae31413ee2f --- /dev/null +++ b/QM9_tddft/raw/04695.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de7a9c8eadba44eb05e1f435c917afeb7ce1a680f1c5a5969a7923823f0d00ff +size 4004178 diff --git a/QM9_tddft/raw/04696.pt b/QM9_tddft/raw/04696.pt new file mode 100644 index 0000000000000000000000000000000000000000..c13c896c2f54b87facb4a7f4613a231306481803 --- /dev/null +++ b/QM9_tddft/raw/04696.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:544efa17942008bc4c090d0a163717ef63989989a7b2774708d31e12be2116a4 +size 5277586 diff --git a/QM9_tddft/raw/04703.pt b/QM9_tddft/raw/04703.pt new file mode 100644 index 0000000000000000000000000000000000000000..868e32e0c4b688022c2f2a0ec5e9eb5e87e86045 --- /dev/null +++ b/QM9_tddft/raw/04703.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5493e46cdc9c7494d73286e1c5dca8fdd244c14807c08d5ef75523fbff234888 +size 4684370 diff --git a/QM9_tddft/raw/04707.pt b/QM9_tddft/raw/04707.pt new file mode 100644 index 0000000000000000000000000000000000000000..2e873bfb8651828687b36857eade07a4de7fb33b --- /dev/null +++ b/QM9_tddft/raw/04707.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b08221248a2134f3f62a4bcb3f932aa02bafb915b9614e9f750d5da3a64f2e0 +size 4976530 diff --git a/QM9_tddft/raw/04708.pt b/QM9_tddft/raw/04708.pt new file mode 100644 index 0000000000000000000000000000000000000000..7e1b37bc1aed0a2f5f80cc13e3cccdb95d73daea --- /dev/null +++ b/QM9_tddft/raw/04708.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6529007d70e05af93cfdc05fff68f24013433a79d9deb6cbabf74f6247a2aca +size 5109778 diff --git a/QM9_tddft/raw/04716.pt b/QM9_tddft/raw/04716.pt new file mode 100644 index 0000000000000000000000000000000000000000..b128f661f0f80534b678f94a6ea01ec1cd7de39e --- /dev/null +++ b/QM9_tddft/raw/04716.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:325d3b5acd84a2d4c24a2cb530ab2d3713a33cb21927c600be0f75ad7007ec13 +size 3163602 diff --git a/QM9_tddft/raw/04722.pt b/QM9_tddft/raw/04722.pt new file mode 100644 index 0000000000000000000000000000000000000000..00d4b1e347aa5387c0cf328be994dd92951857cc --- /dev/null +++ b/QM9_tddft/raw/04722.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b0fdcafe343918f0f1e3279b36376ede5950a2cfeb3565c1ef785c706988242 +size 4490130 diff --git a/QM9_tddft/raw/04729.pt b/QM9_tddft/raw/04729.pt new file mode 100644 index 0000000000000000000000000000000000000000..f8d1d1692659c200d7595703510c50b41b00ce15 --- /dev/null +++ b/QM9_tddft/raw/04729.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:98610a0e65617f99262bf4d5c042bafb20eb05664ffa021b2f3f333e5efe7c0f +size 4651346 diff --git a/QM9_tddft/raw/04732.pt b/QM9_tddft/raw/04732.pt new file mode 100644 index 0000000000000000000000000000000000000000..fb8956659c704eb893f37709659bb978910c7151 --- /dev/null +++ b/QM9_tddft/raw/04732.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:607a764130df28b9183769c143c04d260299c9148f69839789f9ef38111bf9c3 +size 5140242 diff --git a/QM9_tddft/raw/04742.pt b/QM9_tddft/raw/04742.pt new file mode 100644 index 0000000000000000000000000000000000000000..811e0a99309bd8b659fa7e3c67082c768dffbb27 --- /dev/null +++ b/QM9_tddft/raw/04742.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6befada48c870f210118525385cd330f3d5c7ee6460b314acceae57624ce278c +size 5587346 diff --git a/QM9_tddft/raw/04745.pt b/QM9_tddft/raw/04745.pt new file mode 100644 index 0000000000000000000000000000000000000000..f60705c74b2261d7d08e6edff46ceaf7a765365a --- /dev/null +++ b/QM9_tddft/raw/04745.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f8303b55c7d6bc1ad39f1298908b9c9f543d9da6952cfde0a17b4efd008c620 +size 5934994 diff --git a/QM9_tddft/raw/04748.pt b/QM9_tddft/raw/04748.pt new file mode 100644 index 0000000000000000000000000000000000000000..db37884b648cd73fd40879172997ceaac243ef95 --- /dev/null +++ b/QM9_tddft/raw/04748.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6d5862b6ff8e4460ec005693845409794839cf88092085caf3cfbeb4bce770a +size 5304594 diff --git a/QM9_tddft/raw/04760.pt b/QM9_tddft/raw/04760.pt new file mode 100644 index 0000000000000000000000000000000000000000..bb5a427062e5e700a529b5dba4e61a11bbc0ecc1 --- /dev/null +++ b/QM9_tddft/raw/04760.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:653eac82601a230bcf75bc2eaf3b1d10430d4bbfbbd2f98085c6520d33c4b7c8 +size 5140242 diff --git a/QM9_tddft/raw/04765.pt b/QM9_tddft/raw/04765.pt new file mode 100644 index 0000000000000000000000000000000000000000..72703383ca86bd9f6c11dac77931cd96d0ac348c --- /dev/null +++ b/QM9_tddft/raw/04765.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e6f7f2a7c77a62b6600785512ec8e07f70a95bd667b852924eba0276b7fae88f +size 4651346 diff --git a/QM9_tddft/raw/04770.pt b/QM9_tddft/raw/04770.pt new file mode 100644 index 0000000000000000000000000000000000000000..2d0a655971ba552c16e9f0094376ad656f83cb59 --- /dev/null +++ b/QM9_tddft/raw/04770.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53ffc74738d8b32cf03dfe109044b3c4a5140eb75b604f1db14ae3a518444362 +size 5277586 diff --git a/QM9_tddft/raw/04773.pt b/QM9_tddft/raw/04773.pt new file mode 100644 index 0000000000000000000000000000000000000000..274147469863490ae6c18305c8b56c63fd7e4f03 --- /dev/null +++ b/QM9_tddft/raw/04773.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c70a32bc24eb15cc62ed344c8aac72cd8ecca6fc908fca0a8b80b950c8a596e8 +size 4906898 diff --git a/QM9_tddft/raw/04774.pt b/QM9_tddft/raw/04774.pt new file mode 100644 index 0000000000000000000000000000000000000000..2bad19b4ee8a78158136ad5b60ea96b6d9a8b20d --- /dev/null +++ b/QM9_tddft/raw/04774.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ccb199ef0c8083f745e9a3b4d60d89cecd872cffc03cb03f5b5e17a378f540f +size 5445970 diff --git a/QM9_tddft/raw/04777.pt b/QM9_tddft/raw/04777.pt new file mode 100644 index 0000000000000000000000000000000000000000..d41fd1717f1171461d857db89db6e0ec7f485e52 --- /dev/null +++ b/QM9_tddft/raw/04777.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7b8ed12ce553c78c86136e0b2984f876c851e43b5a6b114f80696509d2db5784 +size 4942866 diff --git a/QM9_tddft/raw/04778.pt b/QM9_tddft/raw/04778.pt new file mode 100644 index 0000000000000000000000000000000000000000..86ce5f54cea7d44daab0c04751fc3260f7bd0b9d --- /dev/null +++ b/QM9_tddft/raw/04778.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b2bc6f1876606d80501284b6023a44c12777ad48e0f3c66f0d0f179be0e0472 +size 4976530 diff --git a/QM9_tddft/raw/04780.pt b/QM9_tddft/raw/04780.pt new file mode 100644 index 0000000000000000000000000000000000000000..b66abc5bdc058a1d9d5aaf321df650eaa6934e4c --- /dev/null +++ b/QM9_tddft/raw/04780.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0abc990b71a422c07a53c9525f0134d9131258d333e2f6d54cb873a1dd4b006 +size 5243090 diff --git a/QM9_tddft/raw/04782.pt b/QM9_tddft/raw/04782.pt new file mode 100644 index 0000000000000000000000000000000000000000..7ea307c28f2b3d860916aee94cea96c3d49bf868 --- /dev/null +++ b/QM9_tddft/raw/04782.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6bd2ad754e64de7123c14b91cca7520aed376616cc0656b75c4f485886d5ffc +size 5414930 diff --git a/QM9_tddft/raw/04785.pt b/QM9_tddft/raw/04785.pt new file mode 100644 index 0000000000000000000000000000000000000000..4945624be84c158fa8bacdf3f6732a19e4445e49 --- /dev/null +++ b/QM9_tddft/raw/04785.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0a1fc478c6b1fa36b79d62d52f7b9757c0a503749945c0b4b0e9f97f026d477 +size 5956498 diff --git a/QM9_tddft/raw/04787.pt b/QM9_tddft/raw/04787.pt new file mode 100644 index 0000000000000000000000000000000000000000..236cb92f95df751f81ad409a3c0f1f3c237cb504 --- /dev/null +++ b/QM9_tddft/raw/04787.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dbe3ab06cdf4b851c3765b0d48093afd95ad57f228366f7632dde53eecb215ce +size 6624082 diff --git a/QM9_tddft/raw/04791.pt b/QM9_tddft/raw/04791.pt new file mode 100644 index 0000000000000000000000000000000000000000..4c6f2288f404c93e4619d360a457e8c7e3251111 --- /dev/null +++ b/QM9_tddft/raw/04791.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9bd514e7d487bdaa786313147cb03c8bd79067761df3bb4d7f56b5c7b7d96575 +size 5956498 diff --git a/QM9_tddft/raw/04795.pt b/QM9_tddft/raw/04795.pt new file mode 100644 index 0000000000000000000000000000000000000000..956ef20919d454941b15ebce584774d55743434c --- /dev/null +++ b/QM9_tddft/raw/04795.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f43b9e2eccb1c3cb750e36f6c414c7f4a93ec19126e074669e1c08316f7db595 +size 4526098 diff --git a/QM9_tddft/raw/04798.pt b/QM9_tddft/raw/04798.pt new file mode 100644 index 0000000000000000000000000000000000000000..8d6d9ec44d7f39f93177b1c6dbd0f0657e4e03bf --- /dev/null +++ b/QM9_tddft/raw/04798.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8a024a3dbc11481bd6a514344a5f2c3e0cef9e75f7b96cec7c9af46602c68cc +size 4776530 diff --git a/QM9_tddft/raw/04803.pt b/QM9_tddft/raw/04803.pt new file mode 100644 index 0000000000000000000000000000000000000000..f29b2bc55453c197c9ab580cd34fb55ffa491cb9 --- /dev/null +++ b/QM9_tddft/raw/04803.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1750526f38934f4c63a3c4465887daf71831c1ab61c469f2cbbefd94304b4ba +size 5277586 diff --git a/QM9_tddft/raw/04805.pt b/QM9_tddft/raw/04805.pt new file mode 100644 index 0000000000000000000000000000000000000000..22f4932bce9c7b11a99fd0578ed32b8b52312e01 --- /dev/null +++ b/QM9_tddft/raw/04805.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8aa51ff39f0b75eeb6ed7b446c62e3d62ba2338c11ddf29770db279070dea1af +size 4976530 diff --git a/QM9_tddft/raw/04807.pt b/QM9_tddft/raw/04807.pt new file mode 100644 index 0000000000000000000000000000000000000000..a0428f43863150b0f7eabb8bb4263636ab25ad62 --- /dev/null +++ b/QM9_tddft/raw/04807.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ae30e1916e5be0ace165e605fe39fb985856fa4d9604347fe0053206f724373 +size 5760850 diff --git a/QM9_tddft/raw/04812.pt b/QM9_tddft/raw/04812.pt new file mode 100644 index 0000000000000000000000000000000000000000..ee5b4584c90c5fc57dcbfdf4132cb00f4926be5e --- /dev/null +++ b/QM9_tddft/raw/04812.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1602dcde4bf82b0f267e5130cb980e65509c6b6fb9c2314ba6f2767e7dfcba45 +size 4942866 diff --git a/QM9_tddft/raw/04833.pt b/QM9_tddft/raw/04833.pt new file mode 100644 index 0000000000000000000000000000000000000000..ec541c51ce0780ccc081efc1060fd218bf0b1d13 --- /dev/null +++ b/QM9_tddft/raw/04833.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4258d5ea75dc05c080c75911f44cadf179b473506a4853744d0a15a7c65d8220 +size 5445970 diff --git a/QM9_tddft/raw/04836.pt b/QM9_tddft/raw/04836.pt new file mode 100644 index 0000000000000000000000000000000000000000..22b982dc12fb0c7baacb57488064d7f04699c24c --- /dev/null +++ b/QM9_tddft/raw/04836.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:972337fb9bc552ba32130295eb5d02d8934cd24035af1e3d49fa5ea3d1f88fdc +size 6285650 diff --git a/QM9_tddft/raw/04838.pt b/QM9_tddft/raw/04838.pt new file mode 100644 index 0000000000000000000000000000000000000000..cac701abb40a97d00a68371f719deae90b4034ee --- /dev/null +++ b/QM9_tddft/raw/04838.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cef89b1ebdbd7e1e56d96a163586d5eab235c2f5901a6d2218730771ee0a7d48 +size 5277586 diff --git a/QM9_tddft/raw/04839.pt b/QM9_tddft/raw/04839.pt new file mode 100644 index 0000000000000000000000000000000000000000..feabd2f7e9249ccdbedbfe2f60e363fadf3e7573 --- /dev/null +++ b/QM9_tddft/raw/04839.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ee1a9095eab0c6172363334e0817679b592b75b6b6bd059a01f07d47c319ee9 +size 5934994 diff --git a/QM9_tddft/raw/04841.pt b/QM9_tddft/raw/04841.pt new file mode 100644 index 0000000000000000000000000000000000000000..f10d28c5f8c9b3be3931b009efb30c612bb62410 --- /dev/null +++ b/QM9_tddft/raw/04841.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d65cab172f5cf225a186576b7ceae7494ed129b6f54ed6479cd2d08f744bc9a +size 5002898 diff --git a/QM9_tddft/raw/04845.pt b/QM9_tddft/raw/04845.pt new file mode 100644 index 0000000000000000000000000000000000000000..d5bbe1e9448fce31d8fb9f0ba6ae417613edf934 --- /dev/null +++ b/QM9_tddft/raw/04845.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c5c6bf359bc72ea79315bf3e24e4d660d2df012d6c21c375ce17f77e50de9e9 +size 4976530 diff --git a/QM9_tddft/raw/04858.pt b/QM9_tddft/raw/04858.pt new file mode 100644 index 0000000000000000000000000000000000000000..ac25fdb21ca1c24cb31a1bd27085350adabe7eff --- /dev/null +++ b/QM9_tddft/raw/04858.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bfeed128258f58f3ed9ec73d8dc0c6f4f34e3aa514081aa401d8eea72676a3b +size 5277586 diff --git a/QM9_tddft/raw/04863.pt b/QM9_tddft/raw/04863.pt new file mode 100644 index 0000000000000000000000000000000000000000..8590ee31e5bdc58716d974bb27baab0cc0438c98 --- /dev/null +++ b/QM9_tddft/raw/04863.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48da1e327932c16cb59557165544430a0de697e22feebe6d1b05d499121bd054 +size 5615442 diff --git a/QM9_tddft/raw/04864.pt b/QM9_tddft/raw/04864.pt new file mode 100644 index 0000000000000000000000000000000000000000..38b364c001e21924e44a9d0ee8111c2f88435fea --- /dev/null +++ b/QM9_tddft/raw/04864.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a1f5c77555009c874c7d3119ddb5a2f20abdff003aa11ea1970506d9376768b +size 4651346 diff --git a/QM9_tddft/raw/04875.pt b/QM9_tddft/raw/04875.pt new file mode 100644 index 0000000000000000000000000000000000000000..77580d222be9c251338156cbc272b1716717af58 --- /dev/null +++ b/QM9_tddft/raw/04875.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c256b89c454f9e389a64c5d593541f44e817a663a1e96a8e03dc5ae6fe6877a +size 5615442 diff --git a/QM9_tddft/raw/04877.pt b/QM9_tddft/raw/04877.pt new file mode 100644 index 0000000000000000000000000000000000000000..b66b363da9ad94572132749dd85e28dc0ada8c9b --- /dev/null +++ b/QM9_tddft/raw/04877.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6684812fce7f7456d6f33e8ba46543c9a646f15c87ed9e9764c6f8884bb39c49 +size 5140242 diff --git a/QM9_tddft/raw/04878.pt b/QM9_tddft/raw/04878.pt new file mode 100644 index 0000000000000000000000000000000000000000..f0f766be51fbfd749d2a182db783544911f8f843 --- /dev/null +++ b/QM9_tddft/raw/04878.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da5685c6daedfbb9f7211fd018096b345a99ed47cdd21526ddcacb53349e7e07 +size 4490130 diff --git a/QM9_tddft/raw/04881.pt b/QM9_tddft/raw/04881.pt new file mode 100644 index 0000000000000000000000000000000000000000..7aa9313c1cea6738cec93c4705d79195ce76daf0 --- /dev/null +++ b/QM9_tddft/raw/04881.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a2bc75118b93af07e24f53777b24170a658f761871372a8ea3c726c2106176a +size 5109778 diff --git a/QM9_tddft/raw/04885.pt b/QM9_tddft/raw/04885.pt new file mode 100644 index 0000000000000000000000000000000000000000..15c0f572c253a667622a02818a07de79df2f4224 --- /dev/null +++ b/QM9_tddft/raw/04885.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a01f7021897db181b62ff0762babfb0c69710ddb229d0f9745196533706ff232 +size 4976530 diff --git a/QM9_tddft/raw/04888.pt b/QM9_tddft/raw/04888.pt new file mode 100644 index 0000000000000000000000000000000000000000..3cd6fd07b5cf6309bf2c720750b98b1648bfb527 --- /dev/null +++ b/QM9_tddft/raw/04888.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d323fdaabcf8fc8aeca721bcb2d3f56eaba37d9c2917a1dfc256b45460606897 +size 5470034 diff --git a/QM9_tddft/raw/04898.pt b/QM9_tddft/raw/04898.pt new file mode 100644 index 0000000000000000000000000000000000000000..4c984ebddd718ff0b9e7c5f5281c899e3c2c0693 --- /dev/null +++ b/QM9_tddft/raw/04898.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ac24d58d44633c1b26678c3c7c134f1c8e5296e953aa768a99b78963142200d +size 5445970 diff --git a/QM9_tddft/raw/04911.pt b/QM9_tddft/raw/04911.pt new file mode 100644 index 0000000000000000000000000000000000000000..39d2a99ea6bb2b1bca8eed09325a5d920a8a0230 --- /dev/null +++ b/QM9_tddft/raw/04911.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b62cd3f09d80e1cbb383a7ede96bd4548516a66566d9b57177bba35b0f82dacd +size 4813650 diff --git a/QM9_tddft/raw/04913.pt b/QM9_tddft/raw/04913.pt new file mode 100644 index 0000000000000000000000000000000000000000..3501bf73c10f3f05e1d3ed1c75d60700591cbe0e --- /dev/null +++ b/QM9_tddft/raw/04913.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e121bbf4921d48ac1b0732cba2e05c4a7fd0946e0b1c6647e7198fbc0098cda +size 4170066 diff --git a/QM9_tddft/raw/04921.pt b/QM9_tddft/raw/04921.pt new file mode 100644 index 0000000000000000000000000000000000000000..cef37a01e13cf966928d8571ace381f83b279e9d --- /dev/null +++ b/QM9_tddft/raw/04921.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5e0aea94c372bcc33b634248a104dab2ff55f58d6daee1feb36cb162c923c02f +size 5277586 diff --git a/QM9_tddft/raw/04925.pt b/QM9_tddft/raw/04925.pt new file mode 100644 index 0000000000000000000000000000000000000000..6c2478fff1e21dca491d0c018e42f03c5b0266c6 --- /dev/null +++ b/QM9_tddft/raw/04925.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:345e2bae41eda81b9e669a6465077d6b860d666c631f90d97c904b8372ed382f +size 5853714 diff --git a/QM9_tddft/raw/04926.pt b/QM9_tddft/raw/04926.pt new file mode 100644 index 0000000000000000000000000000000000000000..3875144f3a6066b960be086c71b9ac528e518da7 --- /dev/null +++ b/QM9_tddft/raw/04926.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63495b88156e90f4f8f9022f3d09f3c74a677505fc9de0ae286f92ebc2edf69d +size 3631762 diff --git a/QM9_tddft/raw/04940.pt b/QM9_tddft/raw/04940.pt new file mode 100644 index 0000000000000000000000000000000000000000..ca4ac42c3241c0168e2539ed7cc42d5799581db7 --- /dev/null +++ b/QM9_tddft/raw/04940.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:739694a0a28e025b221eeaf54eaa38b9eebec5a238bebfca3a1d68df52b8317e +size 4490130 diff --git a/QM9_tddft/raw/04941.pt b/QM9_tddft/raw/04941.pt new file mode 100644 index 0000000000000000000000000000000000000000..1a8d0cc17aad79351703f7d0a6618c03b4c904be --- /dev/null +++ b/QM9_tddft/raw/04941.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd128b1a290df5cb584410912a018df8ec7351ce450e2cae847c59dc0524015a +size 5414930 diff --git a/QM9_tddft/raw/04942.pt b/QM9_tddft/raw/04942.pt new file mode 100644 index 0000000000000000000000000000000000000000..68188dbe868315ecad4b8ee4a5e4f733c5a79b6f --- /dev/null +++ b/QM9_tddft/raw/04942.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ed080ed1a31150d1f8b57333b568fb5514ddee6fe97425a7df86705bd7d1710b +size 5109778 diff --git a/QM9_tddft/raw/04944.pt b/QM9_tddft/raw/04944.pt new file mode 100644 index 0000000000000000000000000000000000000000..1f78a07c0c3b2c51d7633eaba304a011c4c0bfd6 --- /dev/null +++ b/QM9_tddft/raw/04944.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3db91233aad2703097b2769313d0bd65cecc366f993feed9093a0cc837540dd5 +size 6462354 diff --git a/QM9_tddft/raw/04947.pt b/QM9_tddft/raw/04947.pt new file mode 100644 index 0000000000000000000000000000000000000000..1c628bb99679081d4acb962a9b75451480ac2768 --- /dev/null +++ b/QM9_tddft/raw/04947.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c9cf80e269109ea645b07e138483d6dfe0cd09346f43096e453451e00ee092e +size 6109970 diff --git a/QM9_tddft/raw/04949.pt b/QM9_tddft/raw/04949.pt new file mode 100644 index 0000000000000000000000000000000000000000..4e84032d10724abccefd970b1ecd2e97ee108259 --- /dev/null +++ b/QM9_tddft/raw/04949.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c7dc32ab93e72007db533176f714267bbe6074476624eb89e99bd515b257f382 +size 5760850 diff --git a/QM9_tddft/raw/04956.pt b/QM9_tddft/raw/04956.pt new file mode 100644 index 0000000000000000000000000000000000000000..9851de862db6b452b9d8dce1c7a23f5f62e5e116 --- /dev/null +++ b/QM9_tddft/raw/04956.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:da9d8ec0f47e657abf6e5a79650c6b2890c7830289462bb11aa36bcf8d3a4a0f +size 5934994 diff --git a/QM9_tddft/raw/04957.pt b/QM9_tddft/raw/04957.pt new file mode 100644 index 0000000000000000000000000000000000000000..693e9126aef75c6edf4f3929ab909576583a8496 --- /dev/null +++ b/QM9_tddft/raw/04957.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c36256734a19b963264fe2b420323bb7966ca33dc69e5d16b1215fa8c778fc14 +size 5140242 diff --git a/QM9_tddft/raw/04959.pt b/QM9_tddft/raw/04959.pt new file mode 100644 index 0000000000000000000000000000000000000000..b9e43dc3bedeb289f8e287693569ebdc23610fe0 --- /dev/null +++ b/QM9_tddft/raw/04959.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9dc3c29625c84485117f401d4adb5065d4c75c15a654e843045e353f839644db +size 5109778 diff --git a/QM9_tddft/raw/04960.pt b/QM9_tddft/raw/04960.pt new file mode 100644 index 0000000000000000000000000000000000000000..4eabbc86d41a75ef15b83ccb59dc795782de7c0d --- /dev/null +++ b/QM9_tddft/raw/04960.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ec76428f96eba3e3a3c9b894783e9e9c57c55bac4ca73d664cb3d6eb83a2ed9 +size 3889618 diff --git a/QM9_tddft/raw/04966.pt b/QM9_tddft/raw/04966.pt new file mode 100644 index 0000000000000000000000000000000000000000..13d5d7551b21ea8cf3d46beba851baa05058c322 --- /dev/null +++ b/QM9_tddft/raw/04966.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:77fe64305df02077fa606c876be787a5b857a317412075b9e1361dd1824e64ad +size 4370322 diff --git a/QM9_tddft/raw/04968.pt b/QM9_tddft/raw/04968.pt new file mode 100644 index 0000000000000000000000000000000000000000..a7e403d91056b725f509f871dce5e902440de01a --- /dev/null +++ b/QM9_tddft/raw/04968.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67cd1752afde24e99a59a749f88d33af61e5df36bad917726b7520768096b3cb +size 5041810 diff --git a/QM9_tddft/raw/04987.pt b/QM9_tddft/raw/04987.pt new file mode 100644 index 0000000000000000000000000000000000000000..138e9d07c55ee17dfa89f6c962085a122e83f744 --- /dev/null +++ b/QM9_tddft/raw/04987.pt @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1b1f8865d754841aba79f870a6e00419fb6a3a2f22411673bcf31c70f699a55 +size 6624082