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Automatically initialize base.run in Gradients and Hessian methods Lint #1298: Commit ea0729a pushed by sunqm
May 21, 2025 19:33 45s 2812
2812
May 21, 2025 19:33 45s
Add an example for #2805 Lint #1297: Commit a11ba26 pushed by sunqm
May 21, 2025 17:16 44s 2805
2805
May 21, 2025 17:16 44s
Update geometric interface (fix #2812) Lint #1296: Commit feaea35 pushed by sunqm
May 21, 2025 15:23 47s 2812
2812
May 21, 2025 15:23 47s
Add cell.dimension=0 for FFTDF. Might also vary AFT/GDF results Lint #1295: Commit 6ca89fb pushed by sunqm
May 21, 2025 05:03 45s cell-0d
cell-0d
May 21, 2025 05:03 45s
Mole.to_cell employs cell.dimension=3 by default Lint #1294: Commit 2c1a020 pushed by sunqm
May 21, 2025 00:45 46s api-cleanup
api-cleanup
May 21, 2025 00:45 46s
Return curried SCF and DFT shortcut function for Mole and Cell Lint #1293: Commit dc0ddb8 pushed by sunqm
May 19, 2025 22:00 44s api-cleanup-more-changes-to-test
api-cleanup-more-changes-to-test
May 19, 2025 22:00 44s
Run CI using 4 threads Lint #1292: Commit d17313d pushed by sunqm
May 19, 2025 18:32 49s omp4
omp4
May 19, 2025 18:32 49s
Restore to_cell implementation Lint #1291: Commit c936ed3 pushed by sunqm
May 19, 2025 13:26 43s api-cleanup
api-cleanup
May 19, 2025 13:26 43s
Restore to_cell implementation Lint #1290: Commit de6fd24 pushed by sunqm
May 19, 2025 13:25 48s api-cleanup
api-cleanup
May 19, 2025 13:25 48s
restore cell.ewald Lint #1289: Commit b9d201f pushed by sunqm
May 19, 2025 05:13 44s api-cleanup
api-cleanup
May 19, 2025 05:13 44s
typo Lint #1288: Commit 8f7b325 pushed by sunqm
May 19, 2025 03:14 49s api-cleanup
api-cleanup
May 19, 2025 03:14 49s
Update examples Lint #1287: Commit 3a20efb pushed by sunqm
May 19, 2025 01:19 43s api-cleanup
api-cleanup
May 19, 2025 01:19 43s
Bugfix and update tests Lint #1286: Commit 81e3679 pushed by sunqm
May 18, 2025 23:27 46s api-cleanup
api-cleanup
May 18, 2025 23:27 46s
Fix tests Lint #1285: Commit 81e088c pushed by sunqm
May 18, 2025 22:01 44s api-cleanup
api-cleanup
May 18, 2025 22:01 44s
Improve Mole.to_cell function Lint #1284: Commit b25a535 pushed by sunqm
May 18, 2025 21:32 50s api-cleanup
api-cleanup
May 18, 2025 21:32 50s
ngrids -> ntasks for multigrid Lint #1283: Commit 5d5ad8a pushed by sunqm
May 14, 2025 00:38 45s api-cleanup
api-cleanup
May 14, 2025 00:38 45s
Remove unnecessary code in grad_rhf.as_scanner Lint #1282: Commit e648332 pushed by sunqm
May 13, 2025 13:44 45s api-cleanup
api-cleanup
May 13, 2025 13:44 45s
import error Lint #1281: Commit 6b45854 pushed by sunqm
May 9, 2025 18:45 43s 2788
2788
May 9, 2025 18:45 43s
Handle PBC DF conversion Lint #1280: Commit 4efb84c pushed by sunqm
May 9, 2025 17:19 47s 2788
2788
May 9, 2025 17:19 47s
Fix tests Lint #1279: Commit 281cd9f pushed by sunqm
May 7, 2025 16:32 46s 2790
2790
May 7, 2025 16:32 46s
Fix a class name composition bug Lint #1278: Commit 5a7c665 pushed by sunqm
May 7, 2025 16:23 51s 2788
2788
May 7, 2025 16:23 51s
Missing keys in mol.pack function Lint #1277: Commit 612ceb1 pushed by sunqm
May 7, 2025 13:48 46s mole-serialization
mole-serialization
May 7, 2025 13:48 46s
Some comments to explain the code Lint #1276: Commit cce3555 pushed by sunqm
May 6, 2025 22:44 48s doc-fix
doc-fix
May 6, 2025 22:44 48s
Remove misleading comments (fix #2787) Lint #1275: Commit a5c5ac7 pushed by sunqm
May 5, 2025 16:30 47s doc-fix
doc-fix
May 5, 2025 16:30 47s
Fix to_hf and to_ks for GDF SCF methods (fix #2788) Lint #1274: Commit ad1ab72 pushed by sunqm
May 5, 2025 16:01 48s 2788
2788
May 5, 2025 16:01 48s