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Migrate all plugins to Qt6 compatibility Build Wheels #1118: Commit 6b942bb pushed by ghutchis
December 21, 2024 04:38 22m 12s fixup-all-qt6
fixup-all-qt6
December 21, 2024 04:38 22m 12s
Fix for problem accessing plugin list Build Wheels #1117: Commit a32cf52 pushed by ghutchis
December 21, 2024 02:57 17m 56s fix-plugin-download
fix-plugin-download
December 21, 2024 02:57 17m 56s
Fix the stick spectra by using "closest to" x-axis point Build Wheels #1116: Commit b89a732 pushed by ghutchis
December 20, 2024 17:55 23m 21s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 17:55 23m 21s
Add NMR plot Build Wheels #1115: Commit fb6e8a6 pushed by ghutchis
December 20, 2024 15:59 15m 59s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 15:59 15m 59s
Fixup x-axis titles and add Wavelength (nm) for future use Build Wheels #1114: Commit e37b4a8 pushed by ghutchis
December 20, 2024 03:33 24m 58s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 03:33 24m 58s
Remove debugging statements for now Build Wheels #1113: Commit 7921a2e pushed by ghutchis
December 19, 2024 20:33 15m 47s fixup-script-energies
fixup-script-energies
December 19, 2024 20:33 15m 47s
Make sure Avogadro VTK requires OpenGL for target Build Wheels #1112: Commit d66a526 pushed by ghutchis
December 19, 2024 18:02 24m 34s revert-forcefield-delay
revert-forcefield-delay
December 19, 2024 18:02 24m 34s
Revert the deferred start for forcefields Build Wheels #1111: Commit ab89fb0 pushed by ghutchis
December 19, 2024 17:36 20m 46s revert-forcefield-delay
revert-forcefield-delay
December 19, 2024 17:36 20m 46s
Initial update for electronic and CD spectra plots Build Wheels #1110: Commit 8e4ea5a pushed by ghutchis
December 19, 2024 04:47 21m 27s uv-cd-spectra
uv-cd-spectra
December 19, 2024 04:47 21m 27s
Add support for atom and bond labels in the property tables Build Wheels #1109: Commit d52126a pushed by ghutchis
December 18, 2024 19:51 20m 38s add-labels-properties
add-labels-properties
December 18, 2024 19:51 20m 38s
Fix compile error with Qt6 Build Wheels #1108: Commit 716b999 pushed by ghutchis
December 13, 2024 16:34 15m 59s alchemy
alchemy
December 13, 2024 16:34 15m 59s
Add a quick "change elements" command (e.g., setting to dummy) Build Wheels #1107: Commit 56d5456 pushed by ghutchis
December 11, 2024 19:38 22m 42s alchemy
alchemy
December 11, 2024 19:38 22m 42s
Fix reading properties from CJSON (e.g., energies, etc.) Build Wheels #1106: Commit 1805b36 pushed by ghutchis
December 11, 2024 04:05 23m 40s fix-rotate-tools
fix-rotate-tools
December 11, 2024 04:05 23m 40s
Fix both the manipulate and label tool to rotate / navigate by default Build Wheels #1105: Commit de0b62f pushed by ghutchis
December 11, 2024 02:17 15m 7s fix-rotate-tools
fix-rotate-tools
December 11, 2024 02:17 15m 7s
Make sure to indicate the type of partial charge model Build Wheels #1104: Commit ffeda35 pushed by ghutchis
December 9, 2024 18:42 19m 33s atom-property-charges
atom-property-charges
December 9, 2024 18:42 19m 33s
Set a project-wide variable for molecule data dir AvogadroLibs_SOURCE… Build Wheels #1103: Commit b6ed43e pushed by ghutchis
December 8, 2024 05:43 19m 30s set-default-fragment-dir
set-default-fragment-dir
December 8, 2024 05:43 19m 30s
If inputParameters is present, set default options for the user Build Wheels #1102: Commit 2f1bc1e pushed by ghutchis
December 7, 2024 23:41 17m 51s cjson-input-parameters
cjson-input-parameters
December 7, 2024 23:41 17m 51s
Parse inputParameters if present in cjson Build Wheels #1101: Commit fc54b19 pushed by ghutchis
December 7, 2024 23:18 7m 55s cjson-input-parameters
cjson-input-parameters
December 7, 2024 23:18 7m 55s
Fixes #1768 - read radicals from SDF / Molfile Build Wheels #1100: Commit f21926a pushed by ghutchis
December 7, 2024 04:19 18m 33s property-radical-formula
property-radical-formula
December 7, 2024 04:19 18m 33s
Make sure to update the dipole when the plugins are turned on/off Build Wheels #1099: Commit 5a66f83 pushed by ghutchis
December 7, 2024 02:56 18m 20s fix-dipole-crash
fix-dipole-crash
December 7, 2024 02:56 18m 20s
Handle molecule switching with a delay update request Build Wheels #1098: Commit ae8c2ce pushed by ghutchis
December 6, 2024 23:09 19m 49s fix-dipole-crash
fix-dipole-crash
December 6, 2024 23:09 19m 49s
Update the dipole moment only when the molecule changes Build Wheels #1097: Commit 2a1cc30 pushed by ghutchis
December 6, 2024 22:50 17m 32s fix-dipole-crash
fix-dipole-crash
December 6, 2024 22:50 17m 32s
Work in progress to integrate MatterSim model Build Wheels #1096: Commit 2f301c8 pushed by ghutchis
December 6, 2024 02:33 18m 49s fixup-script-energies
fixup-script-energies
December 6, 2024 02:33 18m 49s
Improve python selection Build Wheels #1095: Commit 03557b8 pushed by ghutchis
December 6, 2024 00:10 21m 48s fixup-python-selection
fixup-python-selection
December 6, 2024 00:10 21m 48s
Parse more MOPAC aux properties including coordinates Build Wheels #1094: Commit 12e5037 pushed by ghutchis
December 5, 2024 16:52 19m 45s parse-more-mopac-aux
parse-more-mopac-aux
December 5, 2024 16:52 19m 45s