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add cosmors for reranking after geom opt CI #150: Pull request #139 opened by lmseidler
1m 16s opt-cosmors
opt-cosmors
1m 16s
add cosmors for reranking after geom opt CI #149: Commit 330bb02 pushed by lmseidler
1m 24s opt-cosmors
opt-cosmors
1m 24s
v3.0.8 Build & Publish Package #22: Release v3.0.8 published by lmseidler
1m 13s
1m 13s
add gxtb as method for xtb helper functions (#137) CI #148: Commit 1a82c5a pushed by lmseidler
1m 27s v3.0.8
v3.0.8
1m 27s
add gxtb as method for xtb helper functions (#137) Build & Publish Package #21: Commit 1a82c5a pushed by lmseidler
1m 26s v3.0.8
v3.0.8
1m 26s
Graph Update: pip in /src/censo/config #1355009053 Dependency Graph #1: by dependabot Bot
43s main
main
43s
add gxtb as method for xtb helper functions (#137) CI #147: Commit 1a82c5a pushed by lmseidler
1m 14s main
main
1m 14s
add gxtb as method for xtb helper functions CI #146: Pull request #137 synchronize by lmseidler
1m 19s gxtb-helper
gxtb-helper
1m 19s
tighter scf convergence for numercial hessians to avoid asymmetric he… CI #145: Commit eea20db pushed by lmseidler
2m 16s gxtb-helper
gxtb-helper
2m 16s
Fix worker logging and some other stuff CI #144: Commit dcee750 pushed by lmseidler
2m 12s main
main
2m 12s
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