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Fix variant unit tests
Build Flatpak #15: Commit 31d2362 pushed by ghutchis
November 20, 2024 16:18 50m 52s add-dipole-moments
November 20, 2024 16:18 50m 52s
Fix compile and get property to work
Build Flatpak #14: Commit f593562 pushed by ghutchis
November 20, 2024 01:51 1h 11m 10s add-dipole-moments
November 20, 2024 01:51 1h 11m 10s
Add support for reading dipole moments from fchk / orca
Build Flatpak #13: Commit 13d03c8 pushed by ghutchis
November 20, 2024 01:28 57m 41s add-dipole-moments
November 20, 2024 01:28 57m 41s
Fix Codacy warning about initializer
Build Flatpak #12: Commit 7aa46e3 pushed by ghutchis
November 19, 2024 21:51 1h 12m 30s add-dipole-moments
November 19, 2024 21:51 1h 12m 30s
Generally works now for organic molecules using MMFF94
Build Flatpak #11: Commit 6af4de0 pushed by ghutchis
November 19, 2024 20:37 1h 10m 2s add-dipole-moments
November 19, 2024 20:37 1h 10m 2s
Merge branch 'master' of github.com:openchemistry/avogadrolibs into a…
Build Flatpak #10: Commit 4f4a03d pushed by ghutchis
November 19, 2024 03:40 1h 11m 52s add-dipole-moments
November 19, 2024 03:40 1h 11m 52s
Parse NMR spectra from Orca
Build Flatpak #9: Commit 8b97f41 pushed by ghutchis
November 18, 2024 22:50 1h 14m 40s orca-nmr
November 18, 2024 22:50 1h 14m 40s
Add charge, spin, and dipole moment to fchk files
Build Flatpak #8: Commit 6c3a053 pushed by ghutchis
November 18, 2024 20:14 1h 9m 59s orca-electronic-spectra
November 18, 2024 20:14 1h 9m 59s
Fix a potential crash in the new translucent VdW & licorice code
Build Flatpak #7: Commit bf1229a pushed by ghutchis
November 18, 2024 03:48 1h 10m 59s fix-vdw-crash
November 18, 2024 03:48 1h 10m 59s
Initial work to fix potential crash on Windows
Build Flatpak #6: Commit a38783f pushed by ghutchis
November 18, 2024 02:28 1h 8m 52s fix-potential-win-crash
November 18, 2024 02:28 1h 8m 52s
Cache Open Babel formats, force fields and charges
Build Flatpak #5: Commit d33e290 pushed by ghutchis
November 17, 2024 20:11 1h 7m 4s cache-openbabel
November 17, 2024 20:11 1h 7m 4s
Add opacity to the licorice
Build Flatpak #4: Commit 7adb2f7 pushed by ghutchis
November 17, 2024 05:36 1h 4m 8s translucent-licorice
November 17, 2024 05:36 1h 4m 8s
Fix residue not initializing id in default ctor
Build Flatpak #3: Commit 1e7190c pushed by ghutchis
November 16, 2024 15:30 1h 4m 32s minor-residue-fix
November 16, 2024 15:30 1h 4m 32s
Make sure to #include <algorithm>
Build Flatpak #2: Commit 57c7ef2 pushed by ghutchis
November 15, 2024 18:44 1h 5m 22s case-insensitive-molden
November 15, 2024 18:44 1h 5m 22s
Handle upper-case [ATOMS] line in Molden files from Cfour
Build Flatpak #1: Commit 7eb4a75 pushed by ghutchis
November 15, 2024 18:11 3m 11s case-insensitive-molden
November 15, 2024 18:11 3m 11s