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Enable link-time-optimization where available Build Wheels #794: Commit 22afa7e pushed by ghutchis
November 21, 2023 18:45 19m 53s enable-lto
enable-lto
November 21, 2023 18:45 19m 53s
Don't show PNG files in the filter dialog Build Wheels #793: Commit a68636a pushed by ghutchis
November 21, 2023 18:45 14m 54s filter-out-png-files
filter-out-png-files
November 21, 2023 18:45 14m 54s
Install ligand and functional group fragments Build Wheels #792: Commit c6afa7e pushed by ghutchis
November 20, 2023 01:20 14m 53s install-template-fragments
install-template-fragments
November 20, 2023 01:20 14m 53s
[no-ci] Fix a few remaining cases of .. instead of ellipsis character Build Wheels #791: Commit 5916cbb pushed by ghutchis
November 19, 2023 16:48 14m 33s fix-ellipses
fix-ellipses
November 19, 2023 16:48 14m 33s
Add better tooltip Build Wheels #790: Commit c3d124f pushed by ghutchis
November 19, 2023 13:32 18m 33s add-template-library
add-template-library
November 19, 2023 13:32 18m 33s
Fix formatting Build Wheels #789: Commit a35d7f7 pushed by ghutchis
November 19, 2023 05:02 16m 36s add-template-library
add-template-library
November 19, 2023 05:02 16m 36s
Add support for inserting fragments from library Build Wheels #788: Commit c1ea51e pushed by ghutchis
November 19, 2023 04:46 16m 48s add-template-library
add-template-library
November 19, 2023 04:46 16m 48s
Merge pull request #1454 from ghutchis/fixup-script-energy Build Wheels #787: Commit 35c84ce pushed by ghutchis
November 16, 2023 18:31 10m 20s master
master
November 16, 2023 18:31 10m 20s
Fix GFN-FF energy - redirect GFN-FF output through a hack Build Wheels #786: Commit 9f53d4c pushed by ghutchis
November 14, 2023 20:39 16m 18s fixup-script-energy
fixup-script-energy
November 14, 2023 20:39 16m 18s
[no-ci] Update Australian and Canadian localization from GB version Build Wheels #785: Commit af48390 pushed by ghutchis
November 13, 2023 20:26 16m 32s update-english-localization
update-english-localization
November 13, 2023 20:26 16m 32s
Fix formatting Build Wheels #784: Commit 8b9aef5 pushed by ghutchis
November 13, 2023 19:22 15m 13s fixup-pdb-water
fixup-pdb-water
November 13, 2023 19:22 15m 13s
Fix formatting Build Wheels #783: Commit 606254f pushed by ghutchis
November 13, 2023 19:16 23m 14s add-msgpack
add-msgpack
November 13, 2023 19:16 23m 14s
Fix formatting Build Wheels #782: Commit bbd5162 pushed by ghutchis
November 13, 2023 19:15 2m 8s add-msgpack
add-msgpack
November 13, 2023 19:15 2m 8s
Fix everything Build Wheels #781: Commit 838c3a9 pushed by ghutchis
November 13, 2023 19:13 2m 22s add-msgpack
add-msgpack
November 13, 2023 19:13 2m 22s
Fix atomic numbers from Orca - it would read electrons not symbols Build Wheels #780: Commit f86f97f pushed by ghutchis
November 13, 2023 15:28 12m 48s fix-orca-elements
fix-orca-elements
November 13, 2023 15:28 12m 48s
Fixup PDB reading with non-standard MD files (no element column) Build Wheels #779: Commit 1ebf20d pushed by ghutchis
November 13, 2023 15:12 21m 41s fixup-pdb-water
fixup-pdb-water
November 13, 2023 15:12 21m 41s
More fixes Build Wheels #778: Commit cd20098 pushed by ghutchis
November 4, 2023 03:42 13m 16s add-cjson-spacegroup
add-cjson-spacegroup
November 4, 2023 03:42 13m 16s
Fix include Build Wheels #777: Commit cffad91 pushed by ghutchis
November 4, 2023 03:39 3m 42s add-cjson-spacegroup
add-cjson-spacegroup
November 4, 2023 03:39 3m 42s
Fix compile error Build Wheels #776: Commit 3c2a2ce pushed by ghutchis
November 4, 2023 03:38 1m 18s add-cjson-spacegroup
add-cjson-spacegroup
November 4, 2023 03:38 1m 18s
Add support for Hall number and space group to CJSON read/write Build Wheels #775: Commit df60754 pushed by ghutchis
November 4, 2023 03:33 4m 34s add-cjson-spacegroup
add-cjson-spacegroup
November 4, 2023 03:33 4m 34s
Bump version number to 1.98.1 for bugfix Build Wheels #774: Commit c97b431 pushed by ghutchis
November 2, 2023 15:46 19m 22s bump-1981
bump-1981
November 2, 2023 15:46 19m 22s
Merge pull request #1434 from OpenChemistry/readme-changes Build Wheels #773: Commit 6b11171 pushed by ghutchis
November 2, 2023 15:46 55s bump-1981
bump-1981
November 2, 2023 15:46 55s
Revert validation of filenames. Build Wheels #772: Commit af73338 pushed by ghutchis
October 31, 2023 16:28 29m 47s revert-validate-filenames
revert-validate-filenames
October 31, 2023 16:28 29m 47s
Ensure chart is only compiled with USE_VTK Build Wheels #771: Commit 773ff08 pushed by ghutchis
October 30, 2023 21:50 18m 5s ir-spectra-plot
ir-spectra-plot
October 30, 2023 21:50 18m 5s
More work including spectral shift, scale and blur Build Wheels #770: Commit 59d2c13 pushed by ghutchis
October 30, 2023 16:42 22m 14s ir-spectra-plot
ir-spectra-plot
October 30, 2023 16:42 22m 14s
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