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Initial vibrational spectra plot Build Wheels #769: Commit 39ba7df pushed by ghutchis
October 30, 2023 04:16 19m 32s ir-spectra-plot
ir-spectra-plot
October 30, 2023 04:16 19m 32s
Merge pull request #1422 from ghutchis/stop-orca-parsing-crash Build Wheels #768: Commit 4af9309 pushed by ghutchis
October 30, 2023 02:22 19m 33s master
master
October 30, 2023 02:22 19m 33s
Add some additional classes including cjson and connect Build Wheels #767: Commit 74f96b4 pushed by ghutchis
October 29, 2023 18:10 8m 44s add-cjson-connect-python
add-cjson-connect-python
October 29, 2023 18:10 8m 44s
Remove a few debugging statements Build Wheels #766: Commit 59d2af6 pushed by ghutchis
October 29, 2023 17:36 19m 40s remove-debugging-statements
remove-debugging-statements
October 29, 2023 17:36 19m 40s
Add support for reading Mayer bond orders >1.6 Build Wheels #765: Commit cc5fa65 pushed by ghutchis
October 29, 2023 02:11 21m 8s stop-orca-parsing-crash
stop-orca-parsing-crash
October 29, 2023 02:11 21m 8s
Fix compile error Build Wheels #764: Commit ae92e94 pushed by ghutchis
October 28, 2023 23:54 16m 0s fix-valid-filenames
fix-valid-filenames
October 28, 2023 23:54 16m 0s
Fix compile error Build Wheels #763: Commit de5ee4a pushed by ghutchis
October 28, 2023 23:51 20m 1s stop-orca-parsing-crash
stop-orca-parsing-crash
October 28, 2023 23:51 20m 1s
Make sure that filename validation occurs on save, not open Build Wheels #762: Commit feafdc4 pushed by ghutchis
October 28, 2023 23:49 5m 22s fix-valid-filenames
fix-valid-filenames
October 28, 2023 23:49 5m 22s
Parsing orca output would crash when swapping orbitals Build Wheels #761: Commit 7bca87b pushed by ghutchis
October 28, 2023 23:41 10m 7s stop-orca-parsing-crash
stop-orca-parsing-crash
October 28, 2023 23:41 10m 7s
Add workflow concurrency - should stop builds during quick changes Build Wheels #760: Commit 2d5c2d1 pushed by ghutchis
October 28, 2023 03:22 20m 45s add-workflow-concurrency
add-workflow-concurrency
October 28, 2023 03:22 20m 45s
Bump version number for pending 1.98.0 release Build Wheels #759: Commit a738eff pushed by ghutchis
October 26, 2023 15:53 21m 0s v198-cmake
v198-cmake
October 26, 2023 15:53 21m 0s
Fixed formatting Build Wheels #758: Commit 8d9d775 pushed by ghutchis
October 26, 2023 00:24 23m 30s add-selected-atom-api
add-selected-atom-api
October 26, 2023 00:24 23m 30s
Add command script path to just select atoms Build Wheels #757: Commit e2d8d3e pushed by ghutchis
October 26, 2023 00:09 18m 5s add-selected-atom-api
add-selected-atom-api
October 26, 2023 00:09 18m 5s
Add molden as a possible reader for generic .out files Build Wheels #756: Commit 96d9f53 pushed by ghutchis
October 25, 2023 23:10 22m 13s add-molden-output
add-molden-output
October 25, 2023 23:10 22m 13s
Fix #1193 for real this time Build Wheels #755: Commit ab93b94 pushed by ghutchis
October 25, 2023 23:08 30m 56s fix-selectionwidget-crash
fix-selectionwidget-crash
October 25, 2023 23:08 30m 56s
Trying autofix.ci for clang-format changes Build Wheels #754: Commit 635ac1c pushed by ghutchis
October 25, 2023 18:48 19m 41s autofix-clang-format
autofix-clang-format
October 25, 2023 18:48 19m 41s
Fix spurious "change layer" bug with the selection tool Build Wheels #753: Commit a0c5053 pushed by ghutchis
October 25, 2023 17:19 25m 52s fix-selection-layer-crash
fix-selection-layer-crash
October 25, 2023 17:19 25m 52s
Fixed formatting Build Wheels #752: Commit 7c60469 pushed by ghutchis
October 25, 2023 01:00 20m 43s surface-ui-fixes
surface-ui-fixes
October 25, 2023 01:00 20m 43s
Fix a few UI / UX issues in the surface dialog Build Wheels #751: Commit 98493ff pushed by ghutchis
October 25, 2023 00:57 22m 56s surface-ui-fixes
surface-ui-fixes
October 25, 2023 00:57 22m 56s
Switch to L-BFGS and fixup GFN-FF parsing Build Wheels #750: Commit 857c54e pushed by ghutchis
October 24, 2023 03:30 25m 56s optimize-tweaks
optimize-tweaks
October 24, 2023 03:30 25m 56s
Merge pull request #1385 from OpenChemistry/update-i18n-templates Build Wheels #749: Commit c5d6d24 pushed by ghutchis
October 23, 2023 23:15 21m 56s master
master
October 23, 2023 23:15 21m 56s
Minor fix for scripting orbital rendering - allow integers Build Wheels #748: Commit df5c428 pushed by ghutchis
October 23, 2023 23:13 24m 0s use-int-orbital-scripting
use-int-orbital-scripting
October 23, 2023 23:13 24m 0s
Ensure m_molecule is always initialized Build Wheels #747: Commit 5298261 pushed by ghutchis
October 23, 2023 19:09 19m 45s new-forcefield-framework
new-forcefield-framework
October 23, 2023 19:09 19m 45s
Fix formatting, tweak UI including configuration dialog Build Wheels #746: Commit 2f947b5 pushed by ghutchis
October 23, 2023 18:27 22m 57s new-forcefield-framework
new-forcefield-framework
October 23, 2023 18:27 22m 57s
Fixed problem - gradients went the wrong way Build Wheels #745: Commit f2e416f pushed by ghutchis
October 23, 2023 00:56 21m 37s new-forcefield-framework
new-forcefield-framework
October 23, 2023 00:56 21m 37s
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