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GFN0/GFN1/GFN2 fails on macOS (but not Linux) for neutral lanthanide complex (Ce, charge=0, multiplicity=1) Close Stale #823: Issue #1400 labeled by thfroitzheim
11s
11s
Make open-shell doublet the default for an uneven number of electrons… CI #2201: Commit 886363e pushed by thfroitzheim
4m 17s main
main
4m 17s
Copilot code review Copilot code review #9: by Copilot AI
4m 24s refs/pull/1406/head
refs/pull/1406/head
4m 24s
Open-shell doublet as default for uneven number of electrons CI #2200: Pull request #1406 opened by thfroitzheim
9m 42s thfroitzheim:fix-uhf
thfroitzheim:fix-uhf
9m 42s
Update dftd4 version and adapt to changes in tblite (#1405) CI #2199: Commit 101a070 pushed by thfroitzheim
15m 28s main
main
15m 28s
Update the dftd4 version to fix inconsistencies with tblite CI #2198: Pull request #1405 opened by thfroitzheim
8m 51s thfroitzheim:fix-d4-dep
thfroitzheim:fix-d4-dep
8m 51s
add vtight option for gbsa grid (#1404) CI #2197: Commit ebfc7bd pushed by thfroitzheim
5m 7s main
main
5m 7s
Close Stale Close Stale #822: Scheduled
13s main
main
13s
add vtight option for gbsa grid CI #2196: Pull request #1404 opened by chselz
8m 23s chselz:fix_issue_1403
chselz:fix_issue_1403
8m 23s
vtight is not a recognized option for gbsa grid. Close Stale #821: Issue #1403 labeled by TyBalduf
21s
21s
Close Stale Close Stale #820: Scheduled
15s main
main
15s
gfnff_shake_fix CI #2195: Pull request #1402 opened by Ehsanam1773
Action required Ehsanam1773:gfnff_shake_fix
Ehsanam1773:gfnff_shake_fix
Action required
Fix macOS actions CI #2194: Pull request #1396 synchronize by thfroitzheim
11m 0s macos-actions
macos-actions
11m 0s
Pin OpenBlas 0.3.33 CI #2193: Commit cb480bd pushed by thfroitzheim
15m 41s macos-actions
macos-actions
15m 41s
Fix macOS actions CI #2192: Pull request #1396 synchronize by thfroitzheim
31m 47s macos-actions
macos-actions
31m 47s
Update .github/workflows/fortran-build.yml CI #2191: Commit 3d00300 pushed by thfroitzheim
10m 8s macos-actions
macos-actions
10m 8s
Fix GFNFF SHAKE handling CI #2190: Pull request #1401 opened by Ehsanam1773
8m 5s Ehsanam1773:main
Ehsanam1773:main
8m 5s
Close Stale Close Stale #819: Scheduled
12s main
main
12s
GFN0/GFN1/GFN2 fails on macOS (but not Linux) for neutral lanthanide complex (Ce, charge=0, multiplicity=1) Close Stale #818: Issue #1400 labeled by jevandezande
18s
18s
Close Stale Close Stale #817: Scheduled
13s main
main
13s
read dot files from geometry file directory CI #2189: Pull request #1399 synchronize by chselz
8m 58s chselz:fix_issue_695
chselz:fix_issue_695
8m 58s
Add entries to manpage (#1398) CI #2188: Commit eab23de pushed by thfroitzheim
6m 3s main
main
6m 3s
Add solvation and electric fields to the manpage CI #2187: Pull request #1398 opened by thfroitzheim
8m 53s thfroitzheim:man-page
thfroitzheim:man-page
8m 53s
Activate solvation, electric fields, constraints and some properties … CI #2186: Commit 9fb3b26 pushed by thfroitzheim
11m 27s main
main
11m 27s
Activate solvation, electric fields, constraints and some properties with tblite CI #2185: Pull request #1397 synchronize by thfroitzheim
15m 22s thfroitzheim:constraints
thfroitzheim:constraints
15m 22s