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Add 4th order XC deriv in CI job
Lint #915: Commit c0d71f7 pushed by sunqm
October 31, 2023 16:30 1m 24s xc_deriv
October 31, 2023 16:30 1m 24s
Add 4th order XC deriv in CI job
CI #996: Commit c0d71f7 pushed by sunqm
October 31, 2023 16:30 1h 15m 17s xc_deriv
October 31, 2023 16:30 1h 15m 17s
Configure max_deriv_order; arbitrary order for ud2ts and ts2ud
CI #995: Commit 14404bf pushed by sunqm
October 31, 2023 16:22 1h 14m 42s xc_deriv
October 31, 2023 16:22 1h 14m 42s
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
October 31, 2023 16:22 1m 15s
Fix adc tests
CI #994: Commit 19168dd pushed by sunqm
October 27, 2023 03:41 1h 9m 54s bas_cutoff
October 27, 2023 03:41 1h 9m 54s
Fix adc tests
Lint #913: Commit 19168dd pushed by sunqm
October 27, 2023 03:41 1m 17s bas_cutoff
October 27, 2023 03:41 1m 17s
Slightly adjust estimate_rcut to improve PBC integral accuracy
CI #993: Commit ebf3cfa pushed by sunqm
October 27, 2023 01:29 1h 9m 46s bas_cutoff
October 27, 2023 01:29 1h 9m 46s
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
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
October 26, 2023 21:21 1m 15s
Missing remove_soscf in khf
CI #992: Commit 446eb2b pushed by sunqm
October 26, 2023 21:21 1h 8m 54s to_gpu
October 26, 2023 21:21 1h 8m 54s
typo
Lint #910: Commit cb83426 pushed by sunqm
October 26, 2023 19:33 1m 6s to_gpu
October 26, 2023 19:33 1m 6s
typo
CI #991: Commit cb83426 pushed by sunqm
October 26, 2023 19:33 1h 14m 42s to_gpu
October 26, 2023 19:33 1h 14m 42s
Update tdscf initialization
Lint #909: Commit c336fe9 pushed by sunqm
October 26, 2023 19:21 1m 14s to_gpu
October 26, 2023 19:21 1m 14s
Update tdscf initialization
CI #990: Commit c336fe9 pushed by sunqm
October 26, 2023 19:21 1h 13m 11s to_gpu
October 26, 2023 19:21 1h 13m 11s
Fix CASCI grad (#1914)
Lint #908: Commit 169257b pushed by sunqm
October 26, 2023 19:05 1m 24s master
October 26, 2023 19:05 1m 24s
Fix CASCI grad (#1914)
CI #989: Commit 169257b pushed by sunqm
October 26, 2023 19:05 1h 19m 26s master
October 26, 2023 19:05 1h 19m 26s
Fix tests
CI #988: Commit bcb724b pushed by sunqm
October 26, 2023 16:48 1h 16m 12s to_gpu
October 26, 2023 16:48 1h 16m 12s
Fix tests
Lint #907: Commit bcb724b pushed by sunqm
October 26, 2023 16:48 1m 3s to_gpu
October 26, 2023 16:48 1m 3s
October 26, 2023 08:18 1m 28s
October 26, 2023 08:18 1h 4m 1s
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
October 26, 2023 01:26 1h 1m 10s
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
October 26, 2023 01:26 1m 8s
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
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
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
October 24, 2023 11:11 1h 21m 31s