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Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #201: Pull request #111 synchronize by AlexanderMath
October 4, 2023 20:12 11m 43s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 4, 2023 20:12 11m 43s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #200: Pull request #111 synchronize by AlexanderMath
October 4, 2023 19:25 11m 53s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 4, 2023 19:25 11m 53s
Libcint pytest notebooks #199: Pull request #113 synchronize by AlexanderMath
October 4, 2023 12:52 13m 38s libcint
libcint
October 4, 2023 12:52 13m 38s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #198: Pull request #111 synchronize by mihaipgc
October 3, 2023 21:03 17m 34s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
October 3, 2023 21:03 17m 34s
When fetching a mol from PubChem, use 2d pos if 3d pos not found pytest notebooks #197: Pull request #115 opened by blazejba
October 3, 2023 12:56 11m 32s bb/pubchem_2d_positions
bb/pubchem_2d_positions
October 3, 2023 12:56 11m 32s
sparse grid ao along (0,2) axes pytest notebooks #196: Pull request #114 opened by blazejba
October 3, 2023 11:36 12m 7s bb/low-hanging-sparse-grid-ao
bb/low-hanging-sparse-grid-ao
October 3, 2023 11:36 12m 7s
Libcint pytest notebooks #195: Pull request #113 opened by AlexanderMath
October 1, 2023 09:28 15m 54s libcint
libcint
October 1, 2023 09:28 15m 54s
Refactoring special function implementations (#112) pytest notebooks #194: Commit 023e114 pushed by hatemhelal
September 30, 2023 12:56 14m 25s main
main
September 30, 2023 12:56 14m 25s
Refactoring special function implementations pytest notebooks #193: Pull request #112 synchronize by hatemhelal
September 30, 2023 12:44 11m 13s specials
specials
September 30, 2023 12:44 11m 13s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #192: Pull request #111 synchronize by mihaipgc
September 29, 2023 15:48 11m 52s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 29, 2023 15:48 11m 52s
Refactoring special function implementations pytest notebooks #191: Pull request #112 opened by hatemhelal
September 29, 2023 15:36 12m 13s specials
specials
September 29, 2023 15:36 12m 13s
[WIP] Use sparse grid_AO in exchange_correlation(...) pytest notebooks #190: Pull request #107 synchronize by blazejba
September 29, 2023 09:14 15m 36s bb/sparse_grid_ao
bb/sparse_grid_ao
September 29, 2023 09:14 15m 36s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #189: Pull request #111 synchronize by mihaipgc
September 28, 2023 22:57 16m 34s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 28, 2023 22:57 16m 34s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #188: Pull request #111 synchronize by mihaipgc
September 28, 2023 22:49 12m 0s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 28, 2023 22:49 12m 0s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #187: Pull request #111 synchronize by mihaipgc
September 28, 2023 21:53 11m 32s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 28, 2023 21:53 11m 32s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #186: Pull request #111 synchronize by mihaipgc
September 27, 2023 18:00 11m 47s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 27, 2023 18:00 11m 47s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #185: Pull request #111 synchronize by mihaipgc
September 27, 2023 17:29 13m 38s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 27, 2023 17:29 13m 38s
Move ERI computation to the IPU, keeping sparse symmetric einsum functionality pytest notebooks #184: Pull request #111 opened by mihaipgc
September 27, 2023 17:27 11m 5s combine-sparse-symmetric-with-eri-computation
combine-sparse-symmetric-with-eri-computation
September 27, 2023 17:27 11m 5s
Add function decorator for comparing fp64 to fp32 (#110) pytest notebooks #183: Commit ec94c8b pushed by hatemhelal
September 27, 2023 10:05 11m 40s main
main
September 27, 2023 10:05 11m 40s
Add function decorator for comparing fp64 to fp32 pytest notebooks #182: Pull request #110 synchronize by hatemhelal
September 27, 2023 09:47 12m 7s compare-numerics
compare-numerics
September 27, 2023 09:47 12m 7s
Add function decorator for comparing fp64 to fp32 pytest notebooks #181: Pull request #110 synchronize by hatemhelal
September 27, 2023 09:41 10m 59s compare-numerics
compare-numerics
September 27, 2023 09:41 10m 59s
adding tools for plotting with py3dmol (#109) pytest notebooks #180: Commit 6bbbf7e pushed by hatemhelal
September 27, 2023 09:10 11m 48s main
main
September 27, 2023 09:10 11m 48s
Add function decorator for comparing fp64 to fp32 pytest notebooks #179: Pull request #110 opened by hatemhelal
September 26, 2023 20:40 11m 13s compare-numerics
compare-numerics
September 26, 2023 20:40 11m 13s
adding tools for plotting with py3dmol pytest notebooks #178: Pull request #109 opened by hatemhelal
September 26, 2023 20:33 11m 6s plot-tools
plot-tools
September 26, 2023 20:33 11m 6s
WIP: nuclear gradients pytest notebooks #177: Pull request #101 synchronize by hatemhelal
September 26, 2023 08:39 11m 25s 66-compute-forces-on-the-ipu
66-compute-forces-on-the-ipu
September 26, 2023 08:39 11m 25s