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Fix _vhf.direct_mapdm
Lint #864: Commit cf99035 pushed by sunqm
September 29, 2023 16:18 1m 26s sr-vhf
September 29, 2023 16:18 1m 26s
Add tests
Lint #863: Commit 7a07113 pushed by sunqm
September 29, 2023 08:02 1m 34s sr-vhf
September 29, 2023 08:02 1m 34s
Add VHFOpt for LRDF
Lint #862: Commit ae1bc17 pushed by sunqm
September 29, 2023 07:39 1m 39s lrdf-grad
September 29, 2023 07:39 1m 39s
Update fill_ints_sr for cint 6.0
Lint #861: Commit 9068d7d pushed by sunqm
September 28, 2023 05:23 1m 48s lrdf
September 28, 2023 05:23 1m 48s
Update depedent library in CI
Lint #860: Commit 3ec049e pushed by sunqm
September 26, 2023 19:58 1m 48s lrdf
September 26, 2023 19:58 1m 48s
Fix vhf
Lint #859: Commit 46157e5 pushed by sunqm
September 25, 2023 17:59 2m 17s lrdf
September 25, 2023 17:59 2m 17s
Fix bug in df.incore and nr_direct_dot.c
Lint #858: Commit 4bb86e6 pushed by sunqm
September 24, 2023 00:49 1m 30s lrdf
September 24, 2023 00:49 1m 30s
Fix df.incore
Lint #857: Commit 22428d8 pushed by sunqm
September 22, 2023 01:01 1m 30s lrdf
September 22, 2023 01:01 1m 30s
Remove trunc_workspace
Lint #856: Commit f344d66 pushed by sunqm
September 20, 2023 05:37 1m 29s tdscf-fix
September 20, 2023 05:37 1m 29s
Debugging
Lint #855: Commit 37aee50 pushed by sunqm
September 20, 2023 05:26 1m 28s solvent-py38
September 20, 2023 05:26 1m 28s
More msg
Lint #854: Commit 52adda7 pushed by sunqm
September 20, 2023 05:20 1m 48s solvent-py38
September 20, 2023 05:20 1m 48s
More msg
Lint #853: Commit feaca55 pushed by sunqm
September 20, 2023 05:13 1m 26s solvent-py38
September 20, 2023 05:13 1m 26s
Debugging
Lint #852: Commit bb89e51 pushed by sunqm
September 20, 2023 05:09 1m 36s solvent-py38
September 20, 2023 05:09 1m 36s
Remove irrelevant tests
Lint #851: Commit 858e953 pushed by sunqm
September 20, 2023 04:37 1m 34s solvent-py38
September 20, 2023 04:37 1m 34s
debug
Lint #850: Commit a5a9945 pushed by sunqm
September 19, 2023 23:53 1m 25s solvent-py38
September 19, 2023 23:53 1m 25s
Add lrdf method
Lint #849: Commit 94d6ea8 pushed by sunqm
September 19, 2023 23:42 1m 27s lrdf
September 19, 2023 23:42 1m 27s
Test python3.8 solvent tdscf grad
Lint #848: Commit ea8dd7f pushed by sunqm
September 19, 2023 23:39 1m 55s solvent-py38
September 19, 2023 23:39 1m 55s
Test python3.8 solvent tdscf grad
Lint #847: Commit 8050331 pushed by sunqm
September 19, 2023 23:38 1m 23s solvent-py38
September 19, 2023 23:38 1m 23s
Add lrdf method
Lint #846: Commit 58116f7 pushed by sunqm
September 19, 2023 17:16 1m 21s lrdf
September 19, 2023 17:16 1m 21s
Merge branch 'master' into mcfun-pbc
Lint #845: Commit 9f20813 pushed by sunqm
September 18, 2023 20:49 1m 26s mcfun-pbc
September 18, 2023 20:49 1m 26s
Support Gaussian charge model for int1e_grids
Lint #844: Commit c6934e1 pushed by sunqm
September 17, 2023 21:41 1m 20s gaussian-charge-model
September 17, 2023 21:41 1m 20s
Merge branch 'master' into mcfun-pbc
Lint #843: Commit 57e385b pushed by sunqm
September 16, 2023 21:28 1m 28s mcfun-pbc
September 16, 2023 21:28 1m 28s
Optimize grad_nuc
Lint #842: Commit f49d437 pushed by sunqm
September 16, 2023 00:05 1m 29s grad_nuc
September 16, 2023 00:05 1m 29s
Make Mole and Cell picklable
Lint #841: Commit 45bf743 pushed by sunqm
September 11, 2023 21:20 2m 0s mcfun-pbc
September 11, 2023 21:20 2m 0s
Fix tests
Lint #840: Commit 49ea773 pushed by sunqm
September 11, 2023 17:30 1m 31s mcfun-pbc
September 11, 2023 17:30 1m 31s