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dfa.json cleanup and fixed ORCA problems with *-novdew functionals (#… CI #102: Commit 263ac4f pushed by lmseidler
2m 1s main
main
2m 1s
dfa.json cleanup and fixed ORCA problems with *-novdw functionals CI #101: Pull request #123 opened by luggiku
2m 1s luggiku:main
luggiku:main
2m 1s
small fix to chunking strategy CI #100: Commit b74d9d9 pushed by lmseidler
2m 8s mol
mol
2m 8s
reformat docstrings CI #99: Commit 331f86f pushed by lmseidler
1m 55s mol
mol
1m 55s
Merge branch 'main' into mol CI #98: Commit 1cc3c25 pushed by lmseidler
2m 3s mol
mol
2m 3s
inital attempt for extended molecule constructor CI #97: Commit bdbc827 pushed by lmseidler
1m 58s mol
mol
1m 58s
v3.0.5 Build & Publish Package #16: Release v3.0.5 published by lmseidler
3m 2s
3m 2s
Fixed reload function for ensemble data (backwards compatible) Build & Publish Package #15: Commit 87407d0 pushed by lmseidler
1m 1s v3.0.5
v3.0.5
1m 1s
Fixed reload function for ensemble data (backwards compatible) CI #96: Commit 87407d0 pushed by lmseidler
2m 2s v3.0.5
v3.0.5
2m 2s
Fixed reload function for ensemble data (backwards compatible) CI #95: Commit 87407d0 pushed by lmseidler
2m 2s v3.0.4
v3.0.4
2m 2s
Fixed reload function for ensemble data (backwards compatible) Build & Publish Package #14: Commit 87407d0 pushed by lmseidler
55s v3.0.4
v3.0.4
55s
Fixed reload function for ensemble data (backwards compatible) CI #94: Commit 87407d0 pushed by lmseidler
1m 50s main
main
1m 50s
Build & Publish Package Build & Publish Package #13: published by lmseidler
1m 16s
1m 16s
Fix MO guess file pick (#121) Build & Publish Package #12: Commit b8c68a3 pushed by lmseidler
53s v3.0.4
v3.0.4
53s
Fix MO guess file pick (#121) CI #93: Commit b8c68a3 pushed by lmseidler
2m 15s v3.0.4
v3.0.4
2m 15s
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