Skip to content

Actions: ghutchis/avogadrolibs

clang-format Check

Actions

Loading...
Loading

Show workflow options

Create status badge

Loading
290 workflow runs
290 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Add back all the energy terms for further debugging
clang-format Check #1282: Commit 671d346 pushed by ghutchis
February 17, 2025 17:15 27s add-uff
February 17, 2025 17:15 27s
Fixed up some atom typings
clang-format Check #1281: Commit 94c4693 pushed by ghutchis
February 15, 2025 21:04 25s add-uff
February 15, 2025 21:04 25s
Make sure to cancel "Insert SMILES"
clang-format Check #1280: Commit 53e5fc9 pushed by ghutchis
February 14, 2025 20:44 25s fix-cancel-build-smiles
February 14, 2025 20:44 25s
Use real UFF angle terms
clang-format Check #1279: Commit 0c60322 pushed by ghutchis
February 11, 2025 22:20 28s add-uff
February 11, 2025 22:20 28s
Draw layer icons from theme if available and dark/light options
clang-format Check #1278: Commit bf6b371 pushed by ghutchis
February 11, 2025 19:13 25s fix-dark-mode-bugs
February 11, 2025 19:13 25s
Make sure to use default text and document-close icons
clang-format Check #1277: Commit 93ea617 pushed by ghutchis
February 11, 2025 15:52 24s fix-dark-mode-bugs
February 11, 2025 15:52 24s
Make sure to delete bonds even when "adjust hydrogens" is off
clang-format Check #1276: Commit 0e96e96 pushed by ghutchis
February 10, 2025 22:33 42s fix-draw-delete-bonds
February 10, 2025 22:33 42s
Add an out-of-plane angle energy for UFF
clang-format Check #1275: Commit b75c9ff pushed by ghutchis
February 10, 2025 03:50 27s add-uff
February 10, 2025 03:50 27s
Implemented torsion and VdW energy terms
clang-format Check #1274: Commit c5c211c pushed by ghutchis
February 9, 2025 03:11 22s add-uff
February 9, 2025 03:11 22s
Switch to numeric derivatives for now
clang-format Check #1273: Commit 07be02a pushed by ghutchis
February 7, 2025 22:20 30s add-uff
February 7, 2025 22:20 30s
Add an internal implementation of UFF - currently just bonds
clang-format Check #1272: Commit 86e36e2 pushed by ghutchis
February 5, 2025 20:09 24s add-uff
February 5, 2025 20:09 24s
Make sure Gaussian fchk orbitals are read with eV energies
clang-format Check #1271: Commit 14ab1f2 pushed by ghutchis
January 30, 2025 17:20 21s fix-fchk-orbital-energies
January 30, 2025 17:20 21s
Fix MDL test - off-by-one in line length for M CHG etc.
clang-format Check #1270: Commit 6cf3503 pushed by ghutchis
January 23, 2025 18:24 2m 32s harden-file-readers
January 23, 2025 18:24 2m 32s
Check to add bonds of valid atoms
clang-format Check #1269: Commit 9380c41 pushed by ghutchis
January 23, 2025 17:49 2m 47s harden-file-readers
January 23, 2025 17:49 2m 47s
Check line lengths before getting substrings
clang-format Check #1268: Commit a1e0b0c pushed by ghutchis
January 23, 2025 17:43 2m 24s harden-file-readers
January 23, 2025 17:43 2m 24s
Check for invalid atomic numbers
clang-format Check #1267: Commit be37e1d pushed by ghutchis
January 23, 2025 17:21 2m 24s harden-file-readers
January 23, 2025 17:21 2m 24s
Make sure bond orders are only set on valid bonds
clang-format Check #1266: Commit 5bb5487 pushed by ghutchis
January 23, 2025 16:52 2m 31s harden-file-readers
January 23, 2025 16:52 2m 31s
Add a unit test for empty files
clang-format Check #1265: Commit 34189df pushed by ghutchis
January 23, 2025 15:58 2m 24s harden-file-readers
January 23, 2025 15:58 2m 24s
Add more checks for EOF, short lines, etc.
clang-format Check #1264: Commit eed3018 pushed by ghutchis
January 23, 2025 00:31 24s harden-file-readers
January 23, 2025 00:31 24s
Bump build to 1.100.0 for release
clang-format Check #1263: Commit 7d428b0 pushed by ghutchis
January 21, 2025 15:48 21s bump-version-1-100
January 21, 2025 15:48 21s
Bump build to 1.99.0 for release
clang-format Check #1262: Commit d75d942 pushed by ghutchis
January 21, 2025 15:46 20s bump-version-1-100
January 21, 2025 15:46 20s
Fix backwards-compatibility test
clang-format Check #1261: Commit 079510f pushed by ghutchis
January 21, 2025 02:32 2m 55s cjson-contains
January 21, 2025 02:32 2m 55s
Add some defensive tests for cjson using new .contains() syntax
clang-format Check #1260: Commit 536f1af pushed by ghutchis
January 21, 2025 01:40 2m 52s cjson-contains
January 21, 2025 01:40 2m 52s
Only build MoleQueue tests when requested
clang-format Check #1259: Commit 1b0e954 pushed by ghutchis
January 21, 2025 00:22 19s fixup-qt-tests
January 21, 2025 00:22 19s