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Ensure shape of lattice vectors (issue #1932) Lint #917: Commit 1e56c74 pushed by sunqm
November 7, 2023 17:08 1m 13s dynamic-class
dynamic-class
November 7, 2023 17:08 1m 13s
Fix decontract_basis when basis are missed on certain atoms. (Fix #1711) Lint #916: Commit 1500179 pushed by sunqm
November 7, 2023 08:43 1m 9s multigrid
multigrid
November 7, 2023 08:43 1m 9s
Add 4th order XC deriv in CI job Lint #915: Commit c0d71f7 pushed by sunqm
October 31, 2023 16:30 1m 24s xc_deriv
xc_deriv
October 31, 2023 16:30 1m 24s
Configure max_deriv_order; arbitrary order for ud2ts and ts2ud Lint #914: Commit 14404bf pushed by sunqm
October 31, 2023 16:22 1m 15s xc_deriv
xc_deriv
October 31, 2023 16:22 1m 15s
Fix adc tests Lint #913: Commit 19168dd pushed by sunqm
October 27, 2023 03:41 1m 17s bas_cutoff
bas_cutoff
October 27, 2023 03:41 1m 17s
Slightly adjust estimate_rcut to improve PBC integral accuracy Lint #912: Commit ebf3cfa pushed by sunqm
October 27, 2023 01:29 1m 13s bas_cutoff
bas_cutoff
October 27, 2023 01:29 1m 13s
Missing remove_soscf in khf Lint #911: Commit 446eb2b pushed by sunqm
October 26, 2023 21:21 1m 15s to_gpu
to_gpu
October 26, 2023 21:21 1m 15s
typo Lint #910: Commit cb83426 pushed by sunqm
October 26, 2023 19:33 1m 6s to_gpu
to_gpu
October 26, 2023 19:33 1m 6s
Update tdscf initialization Lint #909: Commit c336fe9 pushed by sunqm
October 26, 2023 19:21 1m 14s to_gpu
to_gpu
October 26, 2023 19:21 1m 14s
Fix CASCI grad (#1914) Lint #908: Commit 169257b pushed by sunqm
October 26, 2023 19:05 1m 24s master
master
October 26, 2023 19:05 1m 24s
Fix tests Lint #907: Commit bcb724b pushed by sunqm
October 26, 2023 16:48 1m 3s to_gpu
to_gpu
October 26, 2023 16:48 1m 3s
Improve the undo_soscf method in which unnecessary df objects are rem… Lint #906: Commit cd243b5 pushed by sunqm
October 26, 2023 08:18 1m 28s to_gpu
to_gpu
October 26, 2023 08:18 1m 28s
Update mf type check code in all post HF functions Lint #905: Commit 7860b32 pushed by sunqm
October 26, 2023 01:26 1m 8s to_gpu
to_gpu
October 26, 2023 01:26 1m 8s
Configure max_deriv_order; arbitrary order for ud2ts and ts2ud Lint #904: Commit cdbc9a3 pushed by sunqm
October 24, 2023 20:47 1m 5s xc_deriv
xc_deriv
October 24, 2023 20:47 1m 5s
Update libxc itrf Lint #903: Commit 821af5a pushed by sunqm
October 24, 2023 11:11 1m 7s xc_deriv
xc_deriv
October 24, 2023 11:11 1m 7s
Fix tests Lint #902: Commit bc38e26 pushed by sunqm
October 22, 2023 02:45 1m 2s casci-grad
casci-grad
October 22, 2023 02:45 1m 2s
casci grad crash for small max_memory. Fix #1909 Lint #901: Commit cf09e6b pushed by sunqm
October 22, 2023 01:32 1m 2s casci-grad
casci-grad
October 22, 2023 01:32 1m 2s
casci grad crash for small max_memory. Fix #1909 Lint #900: Commit cf09e6b pushed by sunqm
October 22, 2023 01:32 1m 15s master
master
October 22, 2023 01:32 1m 15s
basis rcut bug for non-orthogonal cell. Fix #1911 Lint #899: Commit 8c102d1 pushed by sunqm
October 22, 2023 01:10 1m 7s bas_cutoff
bas_cutoff
October 22, 2023 01:10 1m 7s
Fix twine upload in release pipeline Lint #898: Commit 2f4578d pushed by sunqm
October 17, 2023 21:32 59s 2.4
2.4
October 17, 2023 21:32 59s
tweak setup.py for macos-arm64 Lint #897: Commit cbef8b4 pushed by sunqm
October 17, 2023 21:25 1m 8s 2.4
2.4
October 17, 2023 21:25 1m 8s
Fix macos runner Lint #896: Commit eea1b5e pushed by sunqm
October 17, 2023 20:40 1m 20s 2.4
2.4
October 17, 2023 20:40 1m 20s
Fix macos pypi wheel Lint #895: Commit 3ecc029 pushed by sunqm
October 17, 2023 20:17 1m 20s 2.4
2.4
October 17, 2023 20:17 1m 20s
Release 2.4 Lint #894: Commit ea8a451 pushed by sunqm
October 16, 2023 21:19 1m 0s 2.4
2.4
October 16, 2023 21:19 1m 0s
Fix tests, restore tests Lint #893: Commit c8e36d8 pushed by sunqm
October 16, 2023 13:59 1m 20s tdscf-fix
tdscf-fix
October 16, 2023 13:59 1m 20s