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Datasets:
USTC-KnowledgeComputingLab
/
qmb-models
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USTC-KnowledgeComputingLab
10
Size:
100M<n<1B
License:
gpl-3.0
Dataset card
Files
Files and versions
xet
Community
main
qmb-models
/
ya_N2_cc_pvdz_PES_14_56
14 MB
1 contributor
History:
2 commits
hzhangxyz
Update the format of FCIDUMP ref energy to yaml.
479173e
verified
12 months ago
0.8.FCIDUMP.gz
497 kB
xet
Add N2 PES data.
about 1 year ago
0.9.FCIDUMP.gz
532 kB
xet
Add N2 PES data.
about 1 year ago
1.0.FCIDUMP.gz
548 kB
xet
Add N2 PES data.
about 1 year ago
1.09.FCIDUMP.gz
545 kB
xet
Add N2 PES data.
about 1 year ago
1.2.FCIDUMP.gz
778 kB
xet
Add N2 PES data.
about 1 year ago
1.4.FCIDUMP.gz
843 kB
xet
Add N2 PES data.
about 1 year ago
1.6.FCIDUMP.gz
881 kB
xet
Add N2 PES data.
about 1 year ago
1.8.FCIDUMP.gz
880 kB
xet
Add N2 PES data.
about 1 year ago
2.0.FCIDUMP.gz
921 kB
xet
Add N2 PES data.
about 1 year ago
2.2.FCIDUMP.gz
939 kB
xet
Add N2 PES data.
about 1 year ago
2.4.FCIDUMP.gz
1.06 MB
xet
Add N2 PES data.
about 1 year ago
2.6.FCIDUMP.gz
1.28 MB
xet
Add N2 PES data.
about 1 year ago
2.8.FCIDUMP.gz
1.3 MB
xet
Add N2 PES data.
about 1 year ago
3.0.FCIDUMP.gz
1.5 MB
xet
Add N2 PES data.
about 1 year ago
3.2.FCIDUMP.gz
1.51 MB
xet
Add N2 PES data.
about 1 year ago
FCIDUMP.yaml
Safe
299 Bytes
Update the format of FCIDUMP ref energy to yaml.
12 months ago
