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sftda/nttda: update Fock definition for nobeta=True case Lint #19: Commit 88c7ca2 pushed by wtpeter
22s nttda
nttda
22s
sftda/nttda: update Fock definition for nobeta=True case CI #19: Commit 88c7ca2 pushed by wtpeter
1h 12m 55s nttda
nttda
1h 12m 55s
Optimize NTTDA fxc1 contractions on MO grids Lint #18: Commit fa101c2 pushed by wtpeter
26s nttda
nttda
26s
Optimize NTTDA fxc1 contractions on MO grids CI #18: Commit fa101c2 pushed by wtpeter
1h 13m 15s nttda
nttda
1h 13m 15s
Fix NTTDA analyze symmetry reporting Lint #17: Commit 25bf859 pushed by wtpeter
25s nttda
nttda
25s
Fix NTTDA analyze symmetry reporting CI #17: Commit 25bf859 pushed by wtpeter
1h 14m 22s nttda
nttda
1h 14m 22s
CI CI #16: Commit 52a5888 pushed by wtpeter
1h 13m 26s nttda
nttda
1h 13m 26s
Lint Lint #16: Commit 52a5888 pushed by wtpeter
24s nttda
nttda
24s
Use full-K ROHF Hessian in SGM CI #15: Commit 7fd5676 pushed by wtpeter
1h 14m 41s feat/sgm-roks
feat/sgm-roks
1h 14m 41s
Use full-K ROHF Hessian in SGM Lint #15: Commit 7fd5676 pushed by wtpeter
25s feat/sgm-roks
feat/sgm-roks
25s
feat: pbc.lo - native Maximally Localized Wannier Functions (#190) Lint #14: Commit c3d31d7 pushed by wtpeter
24s master
master
24s
feat: pbc.lo - native Maximally Localized Wannier Functions (#190) CI #14: Commit c3d31d7 pushed by wtpeter
1h 13m 22s master
master
1h 13m 22s
CI CI #13: Commit f37e2b6 pushed by wtpeter
1h 16m 34s feat/sgm-roks
feat/sgm-roks
1h 16m 34s
Lint Lint #13: Commit f37e2b6 pushed by wtpeter
24s feat/sgm-roks
feat/sgm-roks
24s
new casida solver (#194) Lint #12: Commit fbd6543 pushed by wtpeter
27s master
master
27s
new casida solver (#194) CI #12: Commit fbd6543 pushed by wtpeter
1h 9m 59s master
master
1h 9m 59s
fix lint error CI #11: Commit a3e48bf pushed by wtpeter
1h 9m 43s feat/sasf
feat/sasf
1h 9m 43s
fix lint error Lint #11: Commit a3e48bf pushed by wtpeter
25s feat/sasf
feat/sasf
25s
fix a sign for oscillator_strength Lint #10: Commit 553106d pushed by wtpeter
27s feat/sasf
feat/sasf
27s
fix a sign for oscillator_strength CI #10: Commit 553106d pushed by wtpeter
1h 20m 16s feat/sasf
feat/sasf
1h 20m 16s
feat: satda for deltaS=1; oscillator_strength for deltaS=-1 Lint #9: Commit 67b86af pushed by wtpeter
26s feat/sasf
feat/sasf
26s
feat: satda for deltaS=1; oscillator_strength for deltaS=-1 CI #9: Commit 67b86af pushed by wtpeter
1h 20m 37s feat/sasf
feat/sasf
1h 20m 37s
add gradient_scale for problematic case CI #8: Commit 1e6a90a pushed by wtpeter
55m 48s feat/sgm-roks
feat/sgm-roks
55m 48s
add gradient_scale for problematic case Lint #8: Commit 1e6a90a pushed by wtpeter
21s feat/sgm-roks
feat/sgm-roks
21s
add timer Lint #7: Commit 3798546 pushed by wtpeter
23s feat/sasf
feat/sasf
23s