add_bse

README.md

@@ -14,4 +14,15 @@ size_categories:
 # NEST: NEw Sparse maTrix dataset
 NEST is a new sparse matrix dataset. Its purpose is to define a modern set of sparse matrices arising in relevant and actual scientific application in order to improve further sparse numerical methods. Nest can be seen as a continuity of the Sparse Matrix Market datasets and contain some curated sparse matrices from it as legacy references.
 
-The matrices are stored as COO sparse matrices in `scipy.sparse.npz` archive format. Conversion utils to/from the matrix market format are provided.
+The matrices are stored as COO sparse matrices in `scipy.sparse.npz` archive format. Conversion utils to/from the matrix market format are provided.
+
+
+## TODO:
+### Quantum Transport
+- [ ] Add OBC cell for `cnt_cp2k` as eigenvalue problem
+- [ ] Add OBC cell for `cnt_w90` as eigenvalue problem
+- [ ] Add OBC cell for `sinw_w90` as eigenvalue problem
+
+### Device Modeling
+- [ ] Add right-hand side for `kmc_potential_0`
+- [ ] Add right-hand side for `kmc_potential_1`

device_modeling/README.md

@@ -7,6 +7,7 @@ Domain: Device simulation of a 2x2 cross-bar array
 ### Caracteristics
 - Type:
 - Size: 403605x403605, 10007089 nnz
+- Used in: Linear system solving
 
 |                 | Initial  | LU | Fill-in | Depth |
 |-----------------|----------|----|---------|-------|
@@ -25,6 +26,7 @@ Domain: Device simulation of a 3x3 cross-bar array
 ### Caracteristics
 - Type:
 - Size: 1632355x1632355, 41208963 nnz
+- Used in: Linear system solving
 
 |                 | Initial  | LU | Fill-in | Depth |
 |-----------------|----------|----|---------|-------|
@@ -37,13 +39,13 @@ Domain: Device simulation of a 3x3 cross-bar array
 - [Accelerated Atomistic Kinetic Monte Carlo Simulations of Resistive Memory Arrays](https://ieeexplore.ieee.org/abstract/document/10793135)
 
 
-
 ## qubit_fem_b4
 Domain: 
 
 ### Caracteristics
 - Type:
 - Size: 116380x116380, 2517228 nnz
+- Used in: Eigenvalue problem
 
 |              | Initial | LU | Fill-in | Depth |
 |--------------|---------|----|---------|-------|

legacy_references/README.md

@@ -7,6 +7,7 @@ Domain: Chemical engineering plant models
 ### Caracteristics
 - Type: real unsymmetric
 - Size: 479x479, 1910 nnz
+- Used in: TODO
 
 |          | Initial | LU | Fill-in | Depth |
 |----------|---------|----|---------|-------|
@@ -25,6 +26,7 @@ Domain: Circuit Simulation Problem
 ### Caracteristics
 - Type: real unsymmetric
 - Size: 3523317x3523317, 19194193 nnz
+- Used in: TODO
 
 |              | Initial  | LU | Fill-in | Depth |
 |--------------|----------|----|---------|-------|

quantum_transport/README.md

@@ -8,6 +8,7 @@ Description: Hamiltonian (CP2K) of a carbon nano-tube made of 704 carbon atoms.
 ### Caracteristics
 - Type: complex symmetric
 - Size: 9152x9152, 6154350 nnz
+- Used in: Selected linear system solving
 
 |          | Initial | LU | Fill-in | Depth |
 |----------|---------|----|---------|-------|
@@ -26,6 +27,7 @@ Description: Hamiltonian (Wannier 90) of a carbon nano-tube.
 ### Caracteristics
 - Type: complex symmetric
 - Size: 768x768, 71680 nnz
+- Used in: Selected linear system solving
 
 |          | Initial | LU | Fill-in | Depth |
 |----------|---------|----|---------|-------|
@@ -44,6 +46,7 @@ Description: Hamiltonian (Wannier 90) of a silicon nano-wire.
 ### Caracteristics
 - Type: complex symmetric
 - Size: 7488x7488, 5310160 nnz
+- Used in: Selected linear system solving
 
 |          | Initial | LU | Fill-in | Depth |
 |----------|---------|----|---------|-------|

quantum_transport/cnt_bse/1M/L_greater.npz

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+size 14562521

quantum_transport/cnt_bse/1M/L_greater_bta.npz

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+size 14613619

quantum_transport/cnt_bse/1M/L_lesser.npz

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+size 14850834

quantum_transport/cnt_bse/1M/L_lesser_bta.npz

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+size 14892888

quantum_transport/cnt_bse/1M/system.npz

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quantum_transport/cnt_bse/1M/system_bta.npz

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+size 25089659

quantum_transport/cnt_bse/28K/L_greater.npz

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+size 227901

quantum_transport/cnt_bse/28K/L_greater_bta.npz

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quantum_transport/cnt_bse/28K/L_lesser.npz

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quantum_transport/cnt_bse/28K/L_lesser_bta.npz

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quantum_transport/cnt_bse/28K/readme.txt

@@ -0,0 +1,4 @@
+All the matrices are in the sparse format saved with scipy.sparse.save_npz.
+$A x^{\lessgtr} A^H = L^{\lessgtr}$
+The L_greater and L_lesser are the right-hand side matrix. The system is the $A$ matrix.
+The '_bta' files are arrowhead ordering, the other ones are based on normal ordering.

quantum_transport/cnt_bse/28K/system.npz

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quantum_transport/cnt_bse/28K/system_bta.npz

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statistical_modeling/README.md

@@ -7,6 +7,7 @@ Domain: Prior precision matrix from spatio-temporal statistical modeling applied
 ### Caracteristics
 - Type: positive-definite symmetric
 - Size: 1000506x1000506, 50870502 nnz
+- Used in: Linear system solving
 
 |                | Initial  | Cholesky | Fill-in | Depth |
 |----------------|----------|----------|---------|-------|
@@ -24,6 +25,7 @@ Domain: Conditional precision matrix from spatio-temporal statistical modeling a
 ### Caracteristics
 - Type: positive-definite symmetric
 - Size: 1000506x1000506, 62837532 nnz
+- Used in: Linear system solving, Selected linear system solving
 
 |                      | Initial  | Cholesky | Fill-in | Depth |
 |----------------------|----------|----------|---------|-------|
@@ -43,7 +45,8 @@ Domain: Prior precision matrix from a coregional (trivariate) spatio-temporal st
 ### Caracteristics
 - Type: positive-definite symmetric
 - Size: 8499x8499, 1205931 nnz
-
+- Used in: Linear system solving
+- 
 |                   | Initial | Cholesky | Fill-in | Depth |
 |-------------------|---------|----------|---------|-------|
 | airpoll_prior_st3 | 1205931 |          |         |       |
@@ -62,6 +65,7 @@ Domain: Conditional precision matrix from a coregional (trivariate) spatio-tempo
 ### Caracteristics
 - Type: positive-definite symmetric
 - Size: 8499x8499, 1218651 nnz
+- Used in: Linear system solving, Selected linear system solving
 
 |                         | Initial | Cholesky | Fill-in | Depth |
 |-------------------------|---------|----------|---------|-------|