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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) CI #989: Commit 169257b pushed by sunqm
October 26, 2023 19:05 1h 19m 26s master
master
October 26, 2023 19:05 1h 19m 26s
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
Fix tests CI #988: Commit bcb724b pushed by sunqm
October 26, 2023 16:48 1h 16m 12s to_gpu
to_gpu
October 26, 2023 16:48 1h 16m 12s
Improve the undo_soscf method in which unnecessary df objects are rem… CI #987: Commit cd243b5 pushed by sunqm
October 26, 2023 08:18 1h 4m 1s to_gpu
to_gpu
October 26, 2023 08:18 1h 4m 1s
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
Update mf type check code in all post HF functions CI #986: Commit 7860b32 pushed by sunqm
October 26, 2023 01:26 1h 1m 10s to_gpu
to_gpu
October 26, 2023 01:26 1h 1m 10s
Configure max_deriv_order; arbitrary order for ud2ts and ts2ud CI #985: Commit cdbc9a3 pushed by sunqm
October 24, 2023 20:47 1h 7m 54s xc_deriv
xc_deriv
October 24, 2023 20:47 1h 7m 54s
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 CI #984: Commit 821af5a pushed by sunqm
October 24, 2023 11:11 1h 21m 31s xc_deriv
xc_deriv
October 24, 2023 11:11 1h 21m 31s
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
Fix tests CI #983: Commit bc38e26 pushed by sunqm
October 22, 2023 02:45 1h 13m 31s casci-grad
casci-grad
October 22, 2023 02:45 1h 13m 31s
casci grad crash for small max_memory. Fix #1909 CI #982: Commit cf09e6b pushed by sunqm
October 22, 2023 01:32 1h 0m 19s casci-grad
casci-grad
October 22, 2023 01:32 1h 0m 19s
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
casci grad crash for small max_memory. Fix #1909 CI #981: Commit cf09e6b pushed by sunqm
October 22, 2023 01:32 4m 40s master
master
October 22, 2023 01:32 4m 40s
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
basis rcut bug for non-orthogonal cell. Fix #1911 CI #980: Commit 8c102d1 pushed by sunqm
October 22, 2023 01:10 1h 20m 23s bas_cutoff
bas_cutoff
October 22, 2023 01:10 1h 20m 23s
Publish Publish #7: Manually run by sunqm
October 17, 2023 21:33 13m 59s 2.4
2.4
October 17, 2023 21:33 13m 59s
Fix twine upload in release pipeline CI #979: Commit 2f4578d pushed by sunqm
October 17, 2023 21:32 41s 2.4
2.4
October 17, 2023 21:32 41s
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 CI #978: Commit cbef8b4 pushed by sunqm
October 17, 2023 21:25 7m 42s 2.4
2.4
October 17, 2023 21:25 7m 42s
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