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feat(lr): drive geometry relaxation from an excited-state surface Mirror to Gitee Repository #794: Commit d403593 pushed by maki49
1s LR-Grad-relax
LR-Grad-relax
1s
Mirror to Gitee Repository Mirror to Gitee Repository #793: by maki49
2s
2s
feat: lr-grad openshell implementation Mirror to Gitee Repository #792: Commit ba5d443 pushed by maki49
2s LR-Grad-rebase
LR-Grad-rebase
2s
Perf: speed up the LR kernel-to-potential integrands by ~45% Mirror to Gitee Repository #791: Commit a264c13 pushed by maki49
1s LR-Grad-rebase
LR-Grad-rebase
1s
fix: handle the colinear case at nspin=4 Mirror to Gitee Repository #790: Commit 88974e8 pushed by maki49
1s ssg
ssg
1s
Merge branch 'develop' into develop Mirror to Gitee Repository #789: Commit e99a7ac pushed by dyzheng
1s develop
develop
1s
Mirror to Gitee Repository Mirror to Gitee Repository #788: by maki49
2s
2s
fix: handle the colinear case at nspin=4 Mirror to Gitee Repository #787: Commit 7905e96 pushed by maki49
1s ssg
ssg
1s
rebase and solve conflicts Mirror to Gitee Repository #786: Commit 312393a pushed by maki49
1s develop
develop
1s
rebase and solve conflicts Mirror to Gitee Repository #785: Commit 1ca69f3 pushed by maki49
1s develop
develop
1s
test(soc): SpinConventionCoupling now exercises the real func_xyz_to_… Mirror to Gitee Repository #784: Commit 30e892f pushed by maki49
1s develop
develop
1s
Merge branch 'develop' into develop Mirror to Gitee Repository #783: Commit 9763ce1 pushed by maki49
2s develop
develop
2s
Fix: calculate net force after symmetrization Mirror to Gitee Repository #782: Commit ca9a37b pushed by maki49
1s fix-net-force
fix-net-force
1s
Mirror to Gitee Repository Mirror to Gitee Repository #781: by maki49
1s
1s
Feature: implement gxc Mirror to Gitee Repository #780: Commit 8b986b7 pushed by maki49
2s LR-Grad-rebase
LR-Grad-rebase
2s
update test references Mirror to Gitee Repository #779: Commit 11dd688 pushed by maki49
11s fix-refresh-exx
fix-refresh-exx
11s
Fix: refresh v_eff again after updating XC type, to correct H and eig… Mirror to Gitee Repository #778: Commit 05cbf8e pushed by maki49
1s fix-refresh-exx
fix-refresh-exx
1s
Mirror to Gitee Repository Mirror to Gitee Repository #777: by maki49
1s
1s
Fix pot_hxc_gs: correct TDRPA@LDA (linear vxc=fxc[gs](T+Z) instead of… Mirror to Gitee Repository #776: Commit 9cdcbfd pushed by maki49
1s LR-Grad-rebase
LR-Grad-rebase
1s
Merge branch 'develop' into develop Mirror to Gitee Repository #775: Commit b54196f pushed by mohanchen
1s develop
develop
1s
add test Mirror to Gitee Repository #774: Commit d49318f pushed by maki49
1s fix-hf-xc
fix-hf-xc
1s
add test Mirror to Gitee Repository #773: Commit 6fbe5f9 pushed by maki49
1s fix-hf-xc
fix-hf-xc
1s
Fix an out-of-bound read in xc module at dft_functional=HF Mirror to Gitee Repository #772: Commit 9359dcc pushed by maki49
2s fix-hf-xc
fix-hf-xc
2s
Mirror to Gitee Repository Mirror to Gitee Repository #771: by maki49
1s
1s
Fix an out-of-bound read in xc module at dft_functional=HF Mirror to Gitee Repository #770: Commit f183cab pushed by maki49
1s LR-Grad-rebase
LR-Grad-rebase
1s