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Move Gaussian and Slater concurrent classes to qtgui for orbital table CMake Windows Build #57: Commit c7e3710 pushed by ghutchis
December 26, 2024 16:54 1h 56m 57s add-orbital-table
add-orbital-table
December 26, 2024 16:54 1h 56m 57s
Migrate all plugins to Qt6 compatibility CMake Windows Build #56: Commit 6b942bb pushed by ghutchis
December 21, 2024 04:38 1h 27m 58s fixup-all-qt6
fixup-all-qt6
December 21, 2024 04:38 1h 27m 58s
Fix for problem accessing plugin list CMake Windows Build #55: Commit a32cf52 pushed by ghutchis
December 21, 2024 02:57 1h 28m 12s fix-plugin-download
fix-plugin-download
December 21, 2024 02:57 1h 28m 12s
Fix the stick spectra by using "closest to" x-axis point CMake Windows Build #54: Commit b89a732 pushed by ghutchis
December 20, 2024 17:55 1h 28m 18s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 17:55 1h 28m 18s
Add NMR plot CMake Windows Build #53: Commit fb6e8a6 pushed by ghutchis
December 20, 2024 15:59 1h 28m 52s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 15:59 1h 28m 52s
Fixup x-axis titles and add Wavelength (nm) for future use CMake Windows Build #52: Commit e37b4a8 pushed by ghutchis
December 20, 2024 03:33 6h 0m 19s improve-spectra-uv-nmr
improve-spectra-uv-nmr
December 20, 2024 03:33 6h 0m 19s
Remove debugging statements for now CMake Windows Build #51: Commit 7921a2e pushed by ghutchis
December 19, 2024 20:33 1h 25m 33s fixup-script-energies
fixup-script-energies
December 19, 2024 20:33 1h 25m 33s
Make sure Avogadro VTK requires OpenGL for target CMake Windows Build #50: Commit d66a526 pushed by ghutchis
December 19, 2024 18:02 6h 1m 10s revert-forcefield-delay
revert-forcefield-delay
December 19, 2024 18:02 6h 1m 10s
Revert the deferred start for forcefields CMake Windows Build #49: Commit ab89fb0 pushed by ghutchis
December 19, 2024 17:36 26m 40s revert-forcefield-delay
revert-forcefield-delay
December 19, 2024 17:36 26m 40s
Initial update for electronic and CD spectra plots CMake Windows Build #48: Commit 8e4ea5a pushed by ghutchis
December 19, 2024 04:47 1h 14m 10s uv-cd-spectra
uv-cd-spectra
December 19, 2024 04:47 1h 14m 10s
Add support for atom and bond labels in the property tables CMake Windows Build #47: Commit d52126a pushed by ghutchis
December 18, 2024 19:51 1h 17m 11s add-labels-properties
add-labels-properties
December 18, 2024 19:51 1h 17m 11s
Fix compile error with Qt6 CMake Windows Build #46: Commit 716b999 pushed by ghutchis
December 13, 2024 16:34 1h 20m 39s alchemy
alchemy
December 13, 2024 16:34 1h 20m 39s
Add a quick "change elements" command (e.g., setting to dummy) CMake Windows Build #45: Commit 56d5456 pushed by ghutchis
December 11, 2024 19:38 1h 16m 32s alchemy
alchemy
December 11, 2024 19:38 1h 16m 32s
Fix reading properties from CJSON (e.g., energies, etc.) CMake Windows Build #44: Commit 1805b36 pushed by ghutchis
December 11, 2024 04:05 1h 12m 7s fix-rotate-tools
fix-rotate-tools
December 11, 2024 04:05 1h 12m 7s
Fix both the manipulate and label tool to rotate / navigate by default CMake Windows Build #43: Commit de0b62f pushed by ghutchis
December 11, 2024 02:17 1h 15m 29s fix-rotate-tools
fix-rotate-tools
December 11, 2024 02:17 1h 15m 29s
Make sure to indicate the type of partial charge model CMake Windows Build #42: Commit ffeda35 pushed by ghutchis
December 9, 2024 18:42 1h 16m 49s atom-property-charges
atom-property-charges
December 9, 2024 18:42 1h 16m 49s
Set a project-wide variable for molecule data dir AvogadroLibs_SOURCE… CMake Windows Build #41: Commit b6ed43e pushed by ghutchis
December 8, 2024 05:43 1h 16m 42s set-default-fragment-dir
set-default-fragment-dir
December 8, 2024 05:43 1h 16m 42s
If inputParameters is present, set default options for the user CMake Windows Build #40: Commit 2f1bc1e pushed by ghutchis
December 7, 2024 23:41 1h 6m 37s cjson-input-parameters
cjson-input-parameters
December 7, 2024 23:41 1h 6m 37s
Parse inputParameters if present in cjson CMake Windows Build #39: Commit fc54b19 pushed by ghutchis
December 7, 2024 23:18 23m 55s cjson-input-parameters
cjson-input-parameters
December 7, 2024 23:18 23m 55s
Fixes #1768 - read radicals from SDF / Molfile CMake Windows Build #38: Commit f21926a pushed by ghutchis
December 7, 2024 04:19 1h 11m 56s property-radical-formula
property-radical-formula
December 7, 2024 04:19 1h 11m 56s
Work in progress to integrate MatterSim model CMake Windows Build #37: Commit 2f301c8 pushed by ghutchis
December 6, 2024 02:33 1h 18m 56s fixup-script-energies
fixup-script-energies
December 6, 2024 02:33 1h 18m 56s
Improve python selection CMake Windows Build #36: Commit 03557b8 pushed by ghutchis
December 6, 2024 00:10 1h 18m 26s fixup-python-selection
fixup-python-selection
December 6, 2024 00:10 1h 18m 26s
Parse more MOPAC aux properties including coordinates CMake Windows Build #35: Commit 12e5037 pushed by ghutchis
December 5, 2024 16:52 1h 15m 58s parse-more-mopac-aux
parse-more-mopac-aux
December 5, 2024 16:52 1h 15m 58s
Temporarily remove tmate action to get build log CMake Windows Build #34: Commit cca5857 pushed by ghutchis
December 5, 2024 00:35 1h 15m 25s restore-default-win-build
restore-default-win-build
December 5, 2024 00:35 1h 15m 25s
Only run sign-path build on push, not pull requests CMake Windows Build #33: Commit cf8bb23 pushed by ghutchis
December 4, 2024 20:22 1h 15m 30s restore-default-win-build
restore-default-win-build
December 4, 2024 20:22 1h 15m 30s