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Fix DEA/DIP tests to be compatible with symmetry-adapted guess. Tests #487: Commit 2549dff pushed by kgururangan
January 14, 2025 19:47 1h 1m 28s main
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January 14, 2025 19:47 1h 1m 28s
Spatial symmetry adaptation to DIPCIS/DEACIS guess. Tests #486: Commit 9258ebb pushed by kgururangan
January 14, 2025 15:53 59m 19s main
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January 14, 2025 15:53 59m 19s
Fix bug in S2 matrix for DIPCIS, which caused singlets and triplets t… Tests #485: Commit 24fbda8 pushed by kgururangan
January 14, 2025 06:01 1h 1m 21s main
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January 14, 2025 06:01 1h 1m 21s
Fix bug in indices within t4d update for unrestricted CCSDTQ. Tests #484: Commit 15e0b8d pushed by kgururangan
January 9, 2025 16:12 59m 36s main
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January 9, 2025 16:12 59m 36s
Included spin-adapted DEA-/DIP-CIS guesses for selectively finding si… Tests #483: Commit f7c955d pushed by kgururangan
January 9, 2025 05:44 59m 29s main
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January 9, 2025 05:44 59m 29s
Included spin-adaptation of IP-CISd and EA-CISd guesses to selectivel… Tests #482: Commit 91bc7c8 pushed by kgururangan
January 9, 2025 04:57 58m 55s main
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January 9, 2025 04:57 58m 55s
Added proper docstrings to all CC/EOMCC methods. Tests #481: Commit 4679294 pushed by kgururangan
December 21, 2024 06:19 58m 44s main
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December 21, 2024 06:19 58m 44s
Add full active space setting method in system (for convenience). Tests #480: Commit 6c31a86 pushed by kgururangan
December 20, 2024 05:25 58m 1s main
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December 20, 2024 05:25 58m 1s
Fixed EA-EOMCC methods with the B_prev (previously converged roots) a… Tests #479: Commit 3aa56a0 pushed by kgururangan
December 20, 2024 02:02 59m 5s main
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December 20, 2024 02:02 59m 5s
Removed all block-vector-based CCSDt/EOMCCSDt routines in favor of CC… Tests #478: Commit 6f997f6 pushed by kgururangan
December 20, 2024 00:56 55m 30s main
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December 20, 2024 00:56 55m 30s
Fix Davidson to be generally compatible with previous-root-based gues… Tests #477: Commit ded0056 pushed by kgururangan
December 19, 2024 17:40 58m 2s main
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December 19, 2024 17:40 58m 2s
Modified single-root Davidson to include previously converged root in… Tests #476: Commit 9d58f13 pushed by kgururangan
December 19, 2024 01:58 42m 14s main
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December 19, 2024 01:58 42m 14s
Remove system argument from cc_jacobi and CC update functions. It did… Tests #475: Commit 5170ea2 pushed by kgururangan
December 19, 2024 01:31 17m 43s main
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December 19, 2024 01:31 17m 43s
Use tempfile names for out-of-core DIIS and Davidson. Tests #474: Commit 404d18f pushed by kgururangan
December 18, 2024 15:21 1h 6m 18s main
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December 18, 2024 15:21 1h 6m 18s
Updated README menus. Tests #473: Commit fa1ee45 pushed by kgururangan
December 17, 2024 20:31 1h 5m 22s main
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December 17, 2024 20:31 1h 5m 22s
Updated README example page. Tests #472: Commit d1413fb pushed by kgururangan
December 17, 2024 18:47 1h 4m 44s main
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December 17, 2024 18:47 1h 4m 44s
Pushed tests for DIP-EOMCCSDT(4h-2p) and DIP-EOMCCSD(T)(a)(4h-2p). Tests #471: Commit cc7f2b5 pushed by kgururangan
December 17, 2024 18:10 1h 6m 4s main
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December 17, 2024 18:10 1h 6m 4s
Add docstring to CCSDTQ update subroutines. Tests #470: Commit d4d5684 pushed by kgururangan
December 16, 2024 16:44 59m 57s main
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December 16, 2024 16:44 59m 57s
Fixed output printing in (T)(a)*-type corrections. Tests #469: Commit 9da4435 pushed by kgururangan
December 16, 2024 16:40 1h 3m 59s main
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December 16, 2024 16:40 1h 3m 59s
Update README.md Tests #468: Commit d2b8808 pushed by kgururangan
December 16, 2024 16:28 57m 48s main
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December 16, 2024 16:28 57m 48s
Update README.md Tests #467: Commit 17144ba pushed by kgururangan
December 16, 2024 16:23 59m 12s main
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December 16, 2024 16:23 59m 12s
Update README.md Tests #466: Commit e1fa687 pushed by kgururangan
December 16, 2024 16:06 58m 13s main
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December 16, 2024 16:06 58m 13s
Update README.md Tests #465: Commit a553d73 pushed by kgururangan
December 16, 2024 15:51 59m 25s main
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December 16, 2024 15:51 59m 25s
Update README.md Tests #464: Commit 949652b pushed by kgururangan
December 16, 2024 15:15 1h 0m 20s main
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December 16, 2024 15:15 1h 0m 20s
Added pilot CR-CC(3,4)_A = CCSDT(2)_Q code. I think it's correct, but… Tests #463: Commit 7ee5202 pushed by kgururangan
December 16, 2024 02:11 58m 22s main
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December 16, 2024 02:11 58m 22s