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maki49
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abacus-develop
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feat(lr): drive geometry relaxation from an excited-state surface
Build Test
#997:
Commit
d403593
pushed by
maki49
9m 12s
LR-Grad-relax
LR-Grad-relax
9m 12s
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feat: lr-grad openshell implementation
Build Test
#996:
Commit
ba5d443
pushed by
maki49
2m 8s
LR-Grad-rebase
LR-Grad-rebase
2m 8s
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Perf: speed up the LR kernel-to-potential integrands by ~45%
Build Test
#995:
Commit
a264c13
pushed by
maki49
2m 9s
LR-Grad-rebase
LR-Grad-rebase
2m 9s
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fix: handle the colinear case at nspin=4
Build Test
#994:
Commit
88974e8
pushed by
maki49
8m 39s
ssg
ssg
8m 39s
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Merge branch 'develop' into develop
Build Test
#993:
Commit
e99a7ac
pushed by
dyzheng
2m 7s
develop
develop
2m 7s
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fix: handle the colinear case at nspin=4
Build Test
#992:
Commit
7905e96
pushed by
maki49
2m 16s
ssg
ssg
2m 16s
View workflow file
rebase and solve conflicts
Build Test
#991:
Commit
312393a
pushed by
maki49
2m 9s
develop
develop
2m 9s
View workflow file
rebase and solve conflicts
Build Test
#990:
Commit
1ca69f3
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maki49
2m 16s
develop
develop
2m 16s
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test(soc): SpinConventionCoupling now exercises the real func_xyz_to_…
Build Test
#989:
Commit
30e892f
pushed by
maki49
3m 6s
develop
develop
3m 6s
View workflow file
Merge branch 'develop' into develop
Build Test
#988:
Commit
9763ce1
pushed by
maki49
2m 8s
develop
develop
2m 8s
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Fix: calculate net force after symmetrization
Build Test
#986:
Commit
ca9a37b
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maki49
3m 41s
fix-net-force
fix-net-force
3m 41s
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Feature: implement gxc
Build Test
#985:
Commit
8b986b7
pushed by
maki49
2m 8s
LR-Grad-rebase
LR-Grad-rebase
2m 8s
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update test references
Build Test
#984:
Commit
11dd688
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maki49
2m 8s
fix-refresh-exx
fix-refresh-exx
2m 8s
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Fix: refresh v_eff again after updating XC type, to correct H and eig…
Build Test
#983:
Commit
05cbf8e
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maki49
2m 9s
fix-refresh-exx
fix-refresh-exx
2m 9s
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Fix pot_hxc_gs: correct TDRPA@LDA (linear vxc=fxc[gs](T+Z) instead of…
Build Test
#982:
Commit
9cdcbfd
pushed by
maki49
2m 32s
LR-Grad-rebase
LR-Grad-rebase
2m 32s
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Merge branch 'develop' into develop
Build Test
#981:
Commit
b54196f
pushed by
mohanchen
3m 25s
develop
develop
3m 25s
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add test
Build Test
#980:
Commit
d49318f
pushed by
maki49
2m 52s
fix-hf-xc
fix-hf-xc
2m 52s
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add test
Build Test
#979:
Commit
6fbe5f9
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maki49
2m 55s
fix-hf-xc
fix-hf-xc
2m 55s
View workflow file
Fix an out-of-bound read in xc module at dft_functional=HF
Build Test
#978:
Commit
9359dcc
pushed by
maki49
1m 37s
fix-hf-xc
fix-hf-xc
1m 37s
View workflow file
Fix an out-of-bound read in xc module at dft_functional=HF
Build Test
#977:
Commit
f183cab
pushed by
maki49
3m 4s
LR-Grad-rebase
LR-Grad-rebase
3m 4s
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test(soc): SpinConventionCoupling now exercises the real func_xyz_to_…
Build Test
#976:
Commit
9eedda4
pushed by
maki49
3m 39s
develop
develop
3m 39s
View workflow file
test: add nspin=4 magnetization round-trip regression test
Build Test
#975:
Commit
51de0a4
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maki49
2m 41s
develop
develop
2m 41s
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Fix comment
Build Test
#974:
Commit
0492d7d
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maki49
2m 5s
develop
develop
2m 5s
View workflow file
revert #7664 m_y convention
Build Test
#973:
Commit
58a8fb7
pushed by
maki49
2m 17s
develop
develop
2m 17s
View workflow file
modify some factors and clarify in the comments
Build Test
#972:
Commit
6aea1fc
pushed by
maki49
8m 19s
LR-Grad-LTS
LR-Grad-LTS
8m 19s
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