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feat: Add python 3.10 to whl and 3.13 to tests documentation #231: Commit d6b7e97 pushed by edeustua
January 22, 2025 02:57 25s main
main
January 22, 2025 02:57 25s
feat: Version bump to 0.0.5 documentation #230: Commit 8a8ba01 pushed by edeustua
January 22, 2025 02:41 19s v0.0.5
v0.0.5
January 22, 2025 02:41 19s
feat: Version bump to 0.0.5 documentation #229: Commit 8a8ba01 pushed by edeustua
January 22, 2025 02:40 21s main
main
January 22, 2025 02:40 21s
Added and tested DEA-EOMCCSD(4p-2h)(P) method. documentation #228: Commit 2fe067e pushed by kgururangan
January 18, 2025 21:11 26s main
main
January 18, 2025 21:11 26s
Fix DEA/DIP tests to be compatible with symmetry-adapted guess. documentation #227: Commit 2549dff pushed by kgururangan
January 14, 2025 19:47 27s main
main
January 14, 2025 19:47 27s
Spatial symmetry adaptation to DIPCIS/DEACIS guess. documentation #226: Commit 9258ebb pushed by kgururangan
January 14, 2025 15:53 37s main
main
January 14, 2025 15:53 37s
Fix bug in S2 matrix for DIPCIS, which caused singlets and triplets t… documentation #225: Commit 24fbda8 pushed by kgururangan
January 14, 2025 06:01 25s main
main
January 14, 2025 06:01 25s
Fix bug in indices within t4d update for unrestricted CCSDTQ. documentation #224: Commit 15e0b8d pushed by kgururangan
January 9, 2025 16:12 21s main
main
January 9, 2025 16:12 21s
Included spin-adapted DEA-/DIP-CIS guesses for selectively finding si… documentation #223: Commit f7c955d pushed by kgururangan
January 9, 2025 05:44 25s main
main
January 9, 2025 05:44 25s
Included spin-adaptation of IP-CISd and EA-CISd guesses to selectivel… documentation #222: Commit 91bc7c8 pushed by kgururangan
January 9, 2025 04:57 22s main
main
January 9, 2025 04:57 22s
Added proper docstrings to all CC/EOMCC methods. documentation #221: Commit 4679294 pushed by kgururangan
December 21, 2024 06:19 20s main
main
December 21, 2024 06:19 20s
Add full active space setting method in system (for convenience). documentation #220: Commit 6c31a86 pushed by kgururangan
December 20, 2024 05:25 20s main
main
December 20, 2024 05:25 20s
Fixed EA-EOMCC methods with the B_prev (previously converged roots) a… documentation #219: Commit 3aa56a0 pushed by kgururangan
December 20, 2024 02:02 27s main
main
December 20, 2024 02:02 27s
Removed all block-vector-based CCSDt/EOMCCSDt routines in favor of CC… documentation #218: Commit 6f997f6 pushed by kgururangan
December 20, 2024 00:56 26s main
main
December 20, 2024 00:56 26s
Fix Davidson to be generally compatible with previous-root-based gues… documentation #217: Commit ded0056 pushed by kgururangan
December 19, 2024 17:40 28s main
main
December 19, 2024 17:40 28s
Modified single-root Davidson to include previously converged root in… documentation #216: Commit 9d58f13 pushed by kgururangan
December 19, 2024 01:58 25s main
main
December 19, 2024 01:58 25s
Remove system argument from cc_jacobi and CC update functions. It did… documentation #215: Commit 5170ea2 pushed by kgururangan
December 19, 2024 01:31 27s main
main
December 19, 2024 01:31 27s
Use tempfile names for out-of-core DIIS and Davidson. documentation #214: Commit 404d18f pushed by kgururangan
December 18, 2024 15:21 29s main
main
December 18, 2024 15:21 29s
I think complex CR-CC(2,3) runs. documentation #213: Commit a2f5723 pushed by kgururangan
December 17, 2024 22:12 22s complex128
complex128
December 17, 2024 22:12 22s
Trying to get complex CR-CC(2,3) working. documentation #212: Commit 3e0ece6 pushed by kgururangan
December 17, 2024 21:15 23s complex128
complex128
December 17, 2024 21:15 23s
Updated README menus. documentation #211: Commit fa1ee45 pushed by kgururangan
December 17, 2024 20:31 29s main
main
December 17, 2024 20:31 29s
Updated README example page. documentation #210: Commit d1413fb pushed by kgururangan
December 17, 2024 18:47 22s main
main
December 17, 2024 18:47 22s
Pushed tests for DIP-EOMCCSDT(4h-2p) and DIP-EOMCCSD(T)(a)(4h-2p). documentation #209: Commit cc7f2b5 pushed by kgururangan
December 17, 2024 18:10 29s main
main
December 17, 2024 18:10 29s
Add docstring to CCSDTQ update subroutines. documentation #208: Commit d4d5684 pushed by kgururangan
December 16, 2024 16:44 28s main
main
December 16, 2024 16:44 28s
Fixed output printing in (T)(a)*-type corrections. documentation #207: Commit 9da4435 pushed by kgururangan
December 16, 2024 16:40 22s main
main
December 16, 2024 16:40 22s