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add gxtb as method for xtb helper functions CI #143: Pull request #137 opened by lmseidler
1m 23s gxtb-helper
gxtb-helper
1m 23s
Copilot code review Copilot code review #5: by Copilot AI
4m 25s refs/pull/137/head
refs/pull/137/head
4m 25s
add gxtb as method for xtb helper functions CI #142: Commit 39977d6 pushed by lmseidler
1m 36s gxtb-helper
gxtb-helper
1m 36s
v3.0.7 Build & Publish Package #20: Release v3.0.7 published by lmseidler
17m 57s
17m 57s
fix basis setup for composite methods in orca Build & Publish Package #19: Commit d4723c9 pushed by lmseidler
1m 29s v3.0.7
v3.0.7
1m 29s
fix basis setup for composite methods in orca CI #141: Commit d4723c9 pushed by lmseidler
1m 19s v3.0.7
v3.0.7
1m 19s
fix basis setup for composite methods in orca CI #140: Commit d4723c9 pushed by lmseidler
2m 10s main
main
2m 10s
Add charge + upaired to xtb calls (fixes #136) CI #139: Commit fbf2207 pushed by lmseidler
2m 6s main
main
2m 6s
Add GitHub Release upload step to workflow CI #138: Commit b459187 pushed by lmseidler
1m 33s main
main
1m 33s
v3.0.6 Build & Publish Package #18: Release v3.0.6 published by lmseidler
1m 32s
1m 32s
Fix solvent mappings + readme API update (#125) Build & Publish Package #17: Commit 7ce7106 pushed by lmseidler
1m 57s v3.0.6
v3.0.6
1m 57s
Fix solvent mappings + readme API update (#125) CI #137: Commit 7ce7106 pushed by lmseidler
1m 24s v3.0.6
v3.0.6
1m 24s
Fix solvent mappings + readme API update (#125) CI #136: Commit 7ce7106 pushed by lmseidler
1m 22s main
main
1m 22s
Fix solvent mappings CI #135: Pull request #125 synchronize by lmseidler
1m 4s fix/124
fix/124
1m 4s
fix unlinked mappings CI #134: Commit b92a88a pushed by lmseidler
1m 30s fix/124
fix/124
1m 30s
Fix solvent mappings CI #133: Pull request #125 synchronize by lmseidler
1m 0s fix/124
fix/124
1m 0s
completed cosmors mappings + removed invalid ones CI #132: Commit 2af03bb pushed by lmseidler
1m 29s fix/124
fix/124
1m 29s
Fix solvent mappings CI #131: Pull request #125 synchronize by lmseidler
59s fix/124
fix/124
59s
Merge branch 'fix/124' of github.com:grimme-lab/CENSO into fix/124 CI #130: Commit 6c71233 pushed by lmseidler
1m 24s fix/124
fix/124
1m 24s
Copilot code review Copilot code review #4: by Copilot AI
7m 55s refs/pull/125/head
refs/pull/125/head
7m 55s
Fix solvent mappings CI #129: Pull request #125 synchronize by lmseidler
58s fix/124
fix/124
58s
Update readme with newest API (#131) CI #128: Commit d591e1c pushed by lmseidler
1m 30s fix/124
fix/124
1m 30s
Fix orca version parsing (#132) CI #127: Commit 6520df8 pushed by lmseidler
1m 21s main
main
1m 21s
Fix various issues and enhance molecule constructor functionality CI #126: Pull request #133 synchronize by lmseidler
1m 33s mol
mol
1m 33s
iterate molecules CI #125: Commit 50cd0c8 pushed by lmseidler
1m 23s mol
mol
1m 23s