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ORCA: singly-excited state calculation with over 1000 MOs ci #88: Pull request #229 opened by berquist
July 5, 2025 21:26 56s 1509-orca-giant-et
1509-orca-giant-et
July 5, 2025 21:26 56s
ORCA: singly-excited state calculation with over 1000 MOs ci #87: Commit e158a5d pushed by berquist
July 5, 2025 21:25 1m 5s 1509-orca-giant-et
1509-orca-giant-et
July 5, 2025 21:25 1m 5s
ORCA: singly-excited state calculation with over 1000 MOs ci #86: Commit a732f66 pushed by berquist
July 5, 2025 21:23 55s 1509-orca-giant-et
1509-orca-giant-et
July 5, 2025 21:23 55s
Merge pull request #228 from berquist/fchk-gopt ci #85: Commit 13e6218 pushed by berquist
July 5, 2025 15:59 53s master
master
July 5, 2025 15:59 53s
FChk: add (un)converged geometry optimizations using Q-Chem input geometry ci #84: Pull request #228 opened by berquist
July 5, 2025 03:19 54s berquist:fchk-gopt
berquist:fchk-gopt
July 5, 2025 03:19 54s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.11.0 ci #83: Pull request #227 synchronize by renovate bot
June 30, 2025 22:43 1m 2s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 30, 2025 22:43 1m 2s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.11.0 ci #82: Commit e41e976 pushed by renovate bot
June 30, 2025 22:43 1m 1s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 30, 2025 22:43 1m 1s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.11.0 ci #81: Pull request #227 synchronize by renovate bot
June 29, 2025 14:48 1m 6s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 29, 2025 14:48 1m 6s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.10.0 ci #80: Commit c22b6da pushed by renovate bot
June 29, 2025 14:48 1m 5s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 29, 2025 14:48 1m 5s
Merge pull request #226 from cclib/renovate/cachix-install-nix-action… ci #79: Commit 6cdfdb5 pushed by shivupa
June 29, 2025 14:47 1m 10s master
master
June 29, 2025 14:47 1m 10s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.11.0 ci #78: Pull request #227 opened by renovate bot
June 29, 2025 03:56 1m 5s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 29, 2025 03:56 1m 5s
Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.10.0 ci #77: Commit 98b2190 pushed by renovate 10000 bot
June 29, 2025 03:56 1m 3s renovate/zizmorcore-zizmor-pre-commit-1.x
renovate/zizmorcore-zizmor-pre-commit-1.x
June 29, 2025 03:56 1m 3s
Update cachix/install-nix-action digest to f0fe604 ci #76: Pull request #226 opened by renovate bot
June 29, 2025 03:56 1m 16s renovate/cachix-install-nix-action-digest
renovate/cachix-install-nix-action-digest
June 29, 2025 03:56 1m 16s
Update cachix/install-nix-action digest to f0fe604 ci #75: Commit 918eb01 pushed by renovate bot
June 29, 2025 03:56 1m 7s renovate/cachix-install-nix-action-digest
renovate/cachix-install-nix-action-digest
June 29, 2025 03:56 1m 7s
Merge pull request #225 from berquist/more-rotational-constants ci #74: Commit 6e66afc pushed by berquist
June 20, 2025 02:52 1m 3s master
master
June 20, 2025 02:52 1m 3s
Updates for increased rotational constant testing ci #73: Pull request #225 opened by berquist
June 20, 2025 02:50 58s berquist:more-rotational-constants
berquist:more-rotational-constants
June 20, 2025 02:50 58s
Merge pull request #224 from berquist/1618-orca-compound-job ci #72: Commit 780a1ae pushed by berquist
June 19, 2025 02:11 1m 15s master
master
June 19, 2025 02:11 1m 15s
ORCA: example of compound job ci #71: Pull request #224 opened by berquist
June 19, 2025 02:09 1m 14s berquist:1618-orca-compound-job
berquist:1618-orca-compound-job
June 19, 2025 02:09 1m 14s
Gaussian: linear molecule with stars for rotational constant ci #70: Pull request #223 opened by berquist
June 9, 2025 14:05 1m 2s 1270-gaussian-nan-rotconst
1270-gaussian-nan-rotconst
June 9, 2025 14:05 1m 2s
Gaussian: linear molecule with stars for rotational constant ci #69: Commit 830a2e4 pushed by berquist
June 9, 2025 14:05 1m 5s 1270-gaussian-nan-rotconst
1270-gaussian-nan-rotconst
June 9, 2025 14:05 1m 5s
Gaussian: constrained geometry optimization + frequencies ci #68: Pull request #217 synchronize by berquist
June 9, 2025 14:04 1m 2s berquist:goodvibes-constrained-geo-opt
berquist:goodvibes-constrained-geo-opt
June 9, 2025 14:04 1m 2s
Merge pull request #222 from berquist/1615-gaussian-metadata-functional ci #67: Commit 8b529b7 pushed by berquist
June 9, 2025 14:03 1m 20s master
master
June 9, 2025 14:03 1m 20s
Gaussian: UCCSD(T) output with unexpected functional in metadata ci #66: Pull request #222 opened by berquist
June 9, 2025 14:02 1m 8s berquist:1615-gaussian-metadata-functional
berquist:1615-gaussian-metadata-functional
June 9, 2025 14:02 1m 8s
Merge pull request #221 from cclib/revert-220-1615-gaussian-metadata-… ci #65: Commit f754b52 pushed by berquist
June 9, 2025 13:58 2m 48s master
master
June 9, 2025 13:58 2m 48s
Revert "Gaussian: UCCSD(T) output with unexpected method in metadata" ci #64: Pull request #221 opened by berquist
June 9, 2025 13:56 1m 3s revert-220-1615-gaussian-metadata-functional
revert-220-1615-gaussian-metadata-functional
June 9, 2025 13:56 1m 3s
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