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Add performance tests nanoDFT CLI #166: Pull request #129 synchronize by akrzgc
October 27, 2023 13:16 3m 12s performance-tests
performance-tests
October 27, 2023 13:16 3m 12s
Add performance tests nanoDFT CLI #165: Pull request #129 synchronize by akrzgc
October 27, 2023 13:14 3m 50s performance-tests
performance-tests
October 27, 2023 13:14 3m 50s
Add performance tests nanoDFT CLI #164: Pull request #129 synchronize by akrzgc
October 27, 2023 13:13 3m 5s performance-tests
performance-tests
October 27, 2023 13:13 3m 5s
Add performance tests nanoDFT CLI #163: Pull request #129 synchronize by akrzgc
October 27, 2023 13:09 3m 5s performance-tests
performance-tests
October 27, 2023 13:09 3m 5s
Add performance tests nanoDFT CLI #162: Pull request #129 synchronize by akrzgc
October 27, 2023 13:07 3m 10s performance-tests
performance-tests
October 27, 2023 13:07 3m 10s
Add performance tests nanoDFT CLI #161: Pull request #129 synchronize by akrzgc
October 27, 2023 13:01 3m 13s performance-tests
performance-tests
October 27, 2023 13:01 3m 13s
Add performance tests nanoDFT CLI #160: Pull request #129 synchronize by akrzgc
October 27, 2023 12:55 3m 8s performance-tests
performance-tests
October 27, 2023 12:55 3m 8s
Merge pull request #111 from graphcore-research/combine-sparse-symmet… nanoDFT CLI #159: Commit cd2d875 pushed by mihaipgc
October 26, 2023 09:18 3m 36s main
main
October 26, 2023 09:18 3m 36s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality nanoDFT CLI #158: Pull request #111 synchronize by mihaipgc
October 25, 2023 23:16 3m 35s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 25, 2023 23:16 3m 35s
Merge updates from main nanoDFT CLI #157: Pull request #131 opened by mihaipgc
October 25, 2023 23:15 3m 25s main
main
October 25, 2023 23:15 3m 25s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality nanoDFT CLI #156: Pull request #111 synchronize by mihaipgc
October 25, 2023 23:13 4m 25s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 25, 2023 23:13 4m 25s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality nanoDFT CLI #155: Pull request #111 synchronize by mihaipgc
October 23, 2023 21:06 3m 41s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 23, 2023 21:06 3m 41s
Add performance tests nanoDFT CLI #154: Pull request #129 synchronize by akrzgc
October 19, 2023 15:37 3m 11s performance-tests
performance-tests
October 19, 2023 15:37 3m 11s
Usability fixes for mol_str, min interatomic dist nanoDFT CLI #153: Pull request #130 opened by paolot-gc
October 19, 2023 14:36 3m 28s usability_fixes_paolot
usability_fixes_paolot
October 19, 2023 14:36 3m 28s
Add performance tests nanoDFT CLI #152: Pull request #129 opened by akrzgc
October 19, 2023 13:01 4m 33s performance-tests
performance-tests
October 19, 2023 13:01 4m 33s
Add function for computing the nuclear repulsion energy (#127) nanoDFT CLI #151: Commit 141a281 pushed by hatemhelal
October 18, 2023 12:08 3m 26s main
main
October 18, 2023 12:08 3m 26s
Add function for computing the nuclear repulsion energy nanoDFT CLI #150: Pull request #127 synchronize by hatemhelal
October 18, 2023 11:56 3m 32s nuc-energy
nuc-energy
October 18, 2023 11:56 3m 32s
Expanded derivations in gto_integrals notebook nanoDFT CLI #149: Pull request #124 synchronize by hatemhelal
October 18, 2023 11:46 4m 19s 120-binom_factor-derivation
120-binom_factor-derivation
October 18, 2023 11:46 4m 19s
Expanded derivations in gto_integrals notebook nanoDFT CLI #148: Pull request #124 synchronize by awf
October 17, 2023 20:10 3m 47s 120-binom_factor-derivation
120-binom_factor-derivation
October 17, 2023 20:10 3m 47s
Update basisset to use numpy over jax.numpy (#126) nanoDFT CLI #147: Commit 0e986f6 pushed by hatemhelal
October 17, 2023 09:01 3m 27s main
main
October 17, 2023 09:01 3m 27s
Expanded derivations in gto_integrals notebook nanoDFT CLI #146: Pull request #124 synchronize by awf
October 16, 2023 16:32 3m 22s 120-binom_factor-derivation
120-binom_factor-derivation
October 16, 2023 16:32 3m 22s
WIP: nuclear gradients nanoDFT CLI #145: Pull request #101 synchronize by hatemhelal
October 16, 2023 14:56 3m 34s 66-compute-forces-on-the-ipu
66-compute-forces-on-the-ipu
October 16, 2023 14:56 3m 34s
Add function for computing the nuclear repulsion energy nanoDFT CLI #144: Pull request #127 opened by hatemhelal
October 15, 2023 19:07 3m 22s nuc-energy
nuc-energy
October 15, 2023 19:07 3m 22s
Update basisset to use numpy over jax.numpy nanoDFT CLI #143: Pull request #126 synchronize by hatemhelal
October 15, 2023 15:54 3m 28s fix-jnp
fix-jnp
October 15, 2023 15:54 3m 28s
Update basisset to use numpy over jax.numpy nanoDFT CLI #142: Pull request #126 opened by hatemhelal
October 15, 2023 13:17 3m 28s fix-jnp
fix-jnp
October 15, 2023 13:17 3m 28s