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Support for generating densities for jobs.DensfJob calculations Documentation #495: Pull request #304 closed by SiebeLeDe
November 11, 2024 23:02 7s 302-add-support-for-generating-cube-files-besides-orbitals
302-add-support-for-generating-cube-files-besides-orbitals
November 11, 2024 23:02 7s
Merge pull request #304 from TheoChem-VU/302-add-support-for-generati… Documentation #494: Commit 9972234 pushed by SiebeLeDe
November 11, 2024 23:02 3s main
main
November 11, 2024 23:02 3s
Added results reading function for CRESTJob Documentation #493: Pull request #320 closed by SiebeLeDe
November 11, 2024 23:02 8s 316-rerun-prevention-for-crestjob
316-rerun-prevention-for-crestjob
November 11, 2024 23:02 8s
Merge pull request #320 from TheoChem-VU/316-rerun-prevention-for-cre… Documentation #492: Commit 33736b1 pushed by SiebeLeDe
November 11, 2024 23:02 3s main
main
November 11, 2024 23:02 3s
Changed default print option SFOSiteEnergies to FmatSFO in ADFJob Documentation #491: Pull request #326 closed by YHordijk
October 21, 2024 10:17 5s 325-change-sfositeenergies-to-fmatsfo
325-change-sfositeenergies-to-fmatsfo
October 21, 2024 10:17 5s
Merge pull request #326 from TheoChem-VU/325-change-sfositeenergies-t… Documentation #490: Commit fd5fefd pushed by YHordijk
October 21, 2024 10:17 2s main
main
October 21, 2024 10:17 2s
Fixed a typo causing crashes in ADFFragmentJob Documentation #489: Pull request #324 closed by YHordijk
October 21, 2024 10:04 2s 323-typo-in-adffragmentjob-related-to-a-renaming-we-did
323-typo-in-adffragmentjob-related-to-a-renaming-we-did
October 21, 2024 10:04 2s
Merge pull request #324 from TheoChem-VU/323-typo-in-adffragmentjob-r… Documentation #488: Commit 9139551 pushed by YHordijk
October 21, 2024 10:04 1m 18s main
main
October 21, 2024 10:04 1m 18s
Merge pull request #322 from TheoChem-VU/321-issue-with-setting-basis… Documentation #487: Commit 0b3b427 pushed by SiebeLeDe
October 12, 2024 19:44 1m 10s main
main
October 12, 2024 19:44 1m 10s
Fixed an issue with ADFJob.basis_set method causing crashes Documentation #486: Pull request #322 closed by SiebeLeDe
October 12, 2024 19:44 5s 321-issue-with-setting-basis_set-for-adfjob-calculations
321-issue-with-setting-basis_set-for-adfjob-calculations
October 12, 2024 19:44 5s
Fixed an issue with wrongly generated LaTeX and pyplot molecular formulae Documentation #485: Pull request #319 closed by SiebeLeDe
October 10, 2024 10:00 8s 318-issue-with-generating-latex-and-pyplot-renderable-molecular-formulae
318-issue-with-generating-latex-and-pyplot-renderable-molecular-formulae
October 10, 2024 10:00 8s
Merge pull request #319 from TheoChem-VU/318-issue-with-generating-la… Documentation #484: Commit 6855f31 pushed by SiebeLeDe
October 10, 2024 10:00 2s main
main
October 10, 2024 10:00 2s
TCutility v0.14.5 Documentation #483: Release v0.14.5 published by YHordijk
October 7, 2024 09:41 1m 21s
October 7, 2024 09:41 1m 21s
Fixed a typo that was causing an issue when running jobs Documentation #482: Pull request #315 closed by SiebeLeDe
October 7, 2024 09:04 9s 314-error-when-running-tcutilityjobs-due-to-osname-enum
314-error-when-running-tcutilityjobs-due-to-osname-enum
October 7, 2024 09:04 9s
Merge pull request #315 from TheoChem-VU/314-error-when-running-tcuti… Documentation #481: Commit 8ce16a9 pushed by SiebeLeDe
October 7, 2024 09:04 2s main
main
October 7, 2024 09:04 2s
TCutility v0.14.4 Documentation #480: Release v0.14.4 published by YHordijk
September 17, 2024 10:04 1m 25s
September 17, 2024 10:04 1m 25s
Added an option to not use slurm when starting jobs Documentation #479: Pull request #290 closed by YHordijk
September 17, 2024 10:01 9s 287-add-option-to-not-use-slurm-for-jobs
287-add-option-to-not-use-slurm-for-jobs
September 17, 2024 10:01 9s
Merge branch '287-add-option-to-not-use-slurm-for-jobs' into main Documentation #478: Commit b1fd7d4 pushed by YHordijk
September 17, 2024 10:01 5s main
main
September 17, 2024 10:01 5s
Removed the _build folder temporarily Documentation #477: Commit 479e84b pushed by YHordijk
September 17, 2024 09:48 9s main
main
September 17, 2024 09:48 9s
laptop sync Documentation #476: Commit 25a7ac7 pushed by SiebeLeDe
September 16, 2024 17:55 1m 15s main
main
September 16, 2024 17:55 1m 15s
Added option to perform electrostatic potential energy decomposition for ADFFragmentJob Documentation #475: Pull request #310 closed by SiebeLeDe
September 13, 2024 13:41 6s 279-add-option-to-perform-electrostatic-decomposition-calculation-for-adffragmentjob-calculations
279-add-option-to-perform-electrostatic-decomposition-calculation-for-adffragmentjob-calculations
September 13, 2024 13:41 6s
Merge pull request #310 from TheoChem-VU/279-add-option-to-perform-el… Documentation #474: Commit 10f6562 pushed by SiebeLeDe
September 13, 2024 13:41 2s main
main
September 13, 2024 13:41 2s
TCutility v0.14.3 Documentation #473: Release v0.14.3 published by YHordijk
September 2, 2024 08:21 1m 22s
September 2, 2024 08:21 1m 22s
Merge pull request #309 from TheoChem-VU/308-cant-import-pathfunc-fro… Documentation #472: Commit b3dab04 pushed by SiebeLeDe
September 2, 2024 07:36 1m 16s main
main
September 2, 2024 07:36 1m 16s
pathfunc is now importable from tcutility directly Documentation #471: Pull request #309 closed by SiebeLeDe
September 2, 2024 07:36 1s 308-cant-import-pathfunc-from-tcutility
308-cant-import-pathfunc-from-tcutility
September 2, 2024 07:36 1s