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Fix MO guess file pick (#121) CI #92: Commit b8c68a3 pushed by lmseidler
1m 52s main
main
1m 52s
Fix MO guess file pick CI #91: Pull request #121 opened by lmseidler
1m 2s fix
fix
1m 2s
Merge branch 'fix' of github.com:grimme-lab/CENSO into fix CI #90: Commit e7d8a87 pushed by lmseidler
1m 56s fix
fix
1m 56s
fixing mo_guess pick CI #89: Commit 94c1f08 pushed by lmseidler
2m 13s fix
fix
2m 13s
Fix NMR for TM and solvent mappings + fixed uvvisplot (#120) CI #88: Commit fbae4b2 pushed by lmseidler
2m 10s main
main
2m 10s
Fix NMR for TM and solvent mappings + fixed uvvisplot CI #87: Pull request #120 opened by lmseidler
1m 50s fix
fix
1m 50s
fixing solvent mappings CI #86: Commit 382c1f3 pushed by lmseidler
2m 0s fix
fix
2m 0s
Fix issues with NMR and uvvisplot (#119) CI #85: Commit cb6158a pushed by lmseidler
1m 59s main
main
1m 59s
Fix issues with NMR and uvvisplot CI #84: Pull request #119 opened by lmseidler
2m 5s fix
fix
2m 5s
uvvisplot accepts new format CI #83: Commit a43f203 pushed by lmseidler
1m 51s fix
fix
1m 51s
include missing no_solv statements CI #82: Commit 2fa9c39 pushed by lmseidler
1m 47s main
main
1m 47s
CENSO v3.0.3 Build & Publish Package #11: Release v3.0.3 published by lmseidler
2m 44s
2m 44s
trying to fix turbomole charged/open shell calculations setup CI #81: Commit 8c69e50 pushed by lmseidler
1m 55s v3.0.3
v3.0.3
1m 55s
trying to fix turbomole charged/open shell calculations setup Build & Publish Package #10: Commit 8c69e50 pushed by lmseidler
3m 26s v3.0.3
v3.0.3
3m 26s
trying to fix turbomole charged/open shell calculations setup CI #80: Commit 8c69e50 pushed by lmseidler
2m 0s main
main
2m 0s
fix missing gsolv in refinement CI #79: Commit 017bf68 pushed by lmseidler
2m 10s main
main
2m 10s
fix 1-indexed chemeq dict CI #78: Commit 24aca15 pushed by lmseidler
2m 1s main
main
2m 1s
fix nmr read chemeq bug CI #77: Commit 868e7cc pushed by lmseidler
1m 54s main
main
1m 54s
correctly determine missing paths CI #76: Commit d9f7980 pushed by lmseidler
1m 59s main
main
1m 59s
fix tm path detection CI #75: Commit bd6c2e2 pushed by lmseidler
1m 59s main
main
1m 59s
logging fix CI #74: Commit 97f6250 pushed by lmseidler
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main
1m 56s
more logging stuff CI #73: Commit 0c354bd pushed by lmseidler
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main
1m 53s
some logging stuff CI #72: Commit 6142f69 pushed by lmseidler
2m 18s main
main
2m 18s
moved logging init CI #71: Commit 1119334 pushed by lmseidler
1m 58s main
main
1m 58s
added some debug logs CI #70: Commit 0290530 pushed by lmseidler
2m 1s main
main
2m 1s