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Adjust reading of occ json output for pair energies, bump occ version… CMake #72: Commit 2793650 pushed by peterspackman
November 15, 2024 09:18 11m 59s v24.11a
v24.11a
November 15, 2024 09:18 11m 59s
Adjust reading of occ json output for pair energies, bump occ version… CMake #71: Commit 2793650 pushed by peterspackman
November 15, 2024 09:18 10m 51s main
main
November 15, 2024 09:18 10m 51s
Add fragment patch, fix importing of occ elat results CMake #70: Commit 03a7b5a pushed by peterspackman
November 15, 2024 07:22 11m 17s main
main
November 15, 2024 07:22 11m 17s
Fix issues with pair energy calculation with multiple components, add… CMake #69: Commit 8248208 pushed by peterspackman
November 10, 2024 16:40 11m 15s v24.11
v24.11
November 10, 2024 16:40 11m 15s
Fix issues with pair energy calculation with multiple components, add… CMake #68: Commit 8248208 pushed by peterspackman
November 7, 2024 01:27 11m 19s main
main
November 7, 2024 01:27 11m 19s
Better handle editing of wavefunction input on main thread CMake #67: Commit 8c0558d pushed by peterspackman
November 6, 2024 03:48 11m 5s main
main
November 6, 2024 03:48 11m 5s
Add wavefunction input file editing (blocking) for wavefunction jobs CMake #66: Commit 40c9150 pushed by peterspackman
November 6, 2024 00:37 11m 32s main
main
November 6, 2024 00:37 11m 32s
Add collapsible settings for energy info box, fix duplicate enentries CMake #65: Commit 9c6b7ae pushed by peterspackman
November 5, 2024 23:55 10m 38s main
main
November 5, 2024 23:55 10m 38s
Add automatic calculation of multiple isosurfaces for e.g. deformatio… CMake #63: Commit 60ea5a1 pushed by peterspackman
October 31, 2024 05:44 11m 35s main
main
October 31, 2024 05:44 11m 35s
Add geometry export option, fix atom label/fragment label options to … CMake #62: Commit d6618ac pushed by peterspackman
October 25, 2024 01:04 10m 59s main
main
October 25, 2024 01:04 10m 59s
Tidy up globals CMake #61: Commit 02c49ab pushed by peterspackman
October 24, 2024 00:16 14m 0s main
main
October 24, 2024 00:16 14m 0s
Tidy up globals CMake #60: Commit 746976f pushed by peterspackman
October 18, 2024 01:01 2m 34s main
main
October 18, 2024 01:01 2m 34s
Fix missing icon on macos, fix default text outline settings CMake #59: Commit 8f63bc9 pushed by peterspackman
October 7, 2024 03:30 9m 28s main
main
October 7, 2024 03:30 9m 28s
Update issue templates CMake #58: Commit 65f4848 pushed by peterspackman
October 4, 2024 05:29 13m 15s main
main
October 4, 2024 05:29 13m 15s
Rework xtb execution/task CMake #57: Commit b37e9ee pushed by peterspackman
September 13, 2024 02:26 9m 28s main
main
September 13, 2024 02:26 9m 28s
Add option for pair interaction highlighting without info window show… CMake #56: Commit 81cad19 pushed by peterspackman
September 11, 2024 01:46 9m 13s main
main
September 11, 2024 01:46 9m 13s
Initial selection of aggregate objects CMake #55: Commit 83e2282 pushed by peterspackman
September 10, 2024 01:15 10m 12s v24.09c
v24.09c
September 10, 2024 01:15 10m 12s
Initial selection of aggregate objects CMake #54: Commit 83e2282 pushed by peterspackman
September 10, 2024 01:14 9m 58s main
main
September 10, 2024 01:14 9m 58s
Begin facilitating selection of centroids CMake #53: Commit ad9180d pushed by peterspackman
September 9, 2024 07:10 10m 16s main
main
September 9, 2024 07:10 10m 16s
change to plus signs on +ve valued interaciton energy cylinders CMake #52: Commit a2f3cd0 pushed by peterspackman
September 9, 2024 01:28 10m 13s main
main
September 9, 2024 01:28 10m 13s
Update propagation of selection, add checkbox to show only selected f… CMake #51: Commit fa4f4c6 pushed by peterspackman
September 6, 2024 07:49 10m 27s main
main
September 6, 2024 07:49 10m 27s
Fix minor issues with pair energies selection CMake #50: Commit 016704f pushed by peterspackman
September 6, 2024 04:17 9m 36s v24.09b
v24.09b
September 6, 2024 04:17 9m 36s
Fix minor issues with pair energies selection CMake #49: Commit 016704f pushed by peterspackman
September 6, 2024 04:17 9m 27s main
main
September 6, 2024 04:17 9m 27s
Fix build and test.yml CMake #45: Commit 88586ed pushed by peterspackman
September 4, 2024 03:05 20s v24.09a
v24.09a
September 4, 2024 03:05 20s
Fix build and test.yml CMake #44: Commit 88586ed pushed by peterspackman
September 4, 2024 03:05 9m 28s main
main
September 4, 2024 03:05 9m 28s