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Added missing references for some D3/D3BJ parametrization Documentation #420: Pull request #249 closed by SiebeLeDe
May 25, 2024 13:40 5s 245-add-missing-citations-for-some-functionals
245-add-missing-citations-for-some-functionals
May 25, 2024 13:40 5s
Merge pull request #249 from TheoChem-VU/245-add-missing-citations-fo… Documentation #419: Commit 4636b98 pushed by SiebeLeDe
May 25, 2024 13:40 1s main
main
May 25, 2024 13:40 1s
TCutlity v0.13.1 Documentation #418: Release v0.13.1 published by YHordijk
May 21, 2024 13:36 55m 58s
May 21, 2024 13:36 55m 58s
Fixed an issue where dependencies were not being set Documentation #417: Pull request #238 closed by YHordijk
May 21, 2024 13:34 31m 50s 237-issue-with-dependencies-not-being-set
237-issue-with-dependencies-not-being-set
May 21, 2024 13:34 31m 50s
Merge pull request #238 from TheoChem-VU/237-issue-with-dependencies-… Documentation #416: Commit 87739e3 pushed by YHordijk
May 21, 2024 13:34 17m 17s main
main
May 21, 2024 13:34 17m 17s
Merge pull request #236 from TheoChem-VU/232-add-geometric-informatio… Documentation #415: Commit 9db8bcc pushed by YHordijk
May 17, 2024 13:25 2s main
main
May 17, 2024 13:25 2s
Add geometric parameter function and the new tc geo command Documentation #414: Pull request #236 closed by YHordijk
May 17, 2024 13:25 8s 232-add-geometric-information-function
232-add-geometric-information-function
May 17, 2024 13:25 8s
TCutility v0.13.0 Documentation #413: Release v0.13.0 published by YHordijk
May 9, 2024 18:59 1m 27s
May 9, 2024 18:59 1m 27s
Merge pull request #230 from TheoChem-VU/190-spin-polarized-adf-calcu… Documentation #412: Commit 411856a pushed by YHordijk
May 9, 2024 18:58 1m 13s main
main
May 9, 2024 18:58 1m 13s
Check job pre-run function Documentation #411: Pull request #230 closed by YHordijk
May 9, 2024 18:58 3s 190-spin-polarized-adf-calculations-should-not-use-a-dftb-initial-hessian
190-spin-polarized-adf-calculations-should-not-use-a-dftb-initial-hessian
May 9, 2024 18:58 3s
New delete_on_fail option for Jobs Documentation #410: Pull request #231 closed by YHordijk
May 9, 2024 17:48 1m 23s 176-add-option-to-job-to-remove-a-workdir-if-the-calculation-failed
176-add-option-to-job-to-remove-a-workdir-if-the-calculation-failed
May 9, 2024 17:48 1m 23s
Merge pull request #231 from TheoChem-VU/176-add-option-to-job-to-rem… Documentation #409: Commit 0ccab3e pushed by YHordijk
May 9, 2024 17:48 1m 19s main
main
May 9, 2024 17:48 1m 19s
The timing module Documentation #408: Pull request #229 closed by YHordijk
May 8, 2024 13:11 2s 228-timing-module
228-timing-module
May 8, 2024 13:11 2s
Merge pull request #229 from TheoChem-VU/228-timing-module Documentation #407: Commit 01a2eac pushed by YHordijk
May 8, 2024 13:11 1m 20s main
main
May 8, 2024 13:11 1m 20s
Merge pull request #187 from TheoChem-VU/implement-xtbjob-class Documentation #406: Commit 3e4649d pushed by YHordijk
May 7, 2024 23:18 3s main
main
May 7, 2024 23:18 3s
Implement xtbjob class Documentation #405: Pull request #187 closed by YHordijk
May 7, 2024 23:18 7s implement-xtbjob-class
implement-xtbjob-class
May 7, 2024 23:18 7s
Merge pull request #221 from TheoChem-VU/220-store-cached-results-loc… Documentation #404: Commit da70ba4 pushed by YHordijk
May 7, 2024 20:55 1m 21s main
main
May 7, 2024 20:55 1m 21s
Added the cache_file decorator Documentation #403: Pull request #221 closed by YHordijk
May 7, 2024 20:55 2s 220-store-cached-results-locally
220-store-cached-results-locally
May 7, 2024 20:55 2s
Merge pull request #222 from TheoChem-VU/189-add-references-for-funct… Documentation #402: Commit 0079387 pushed by YHordijk
May 7, 2024 20:54 1m 35s main
main
May 7, 2024 20:54 1m 35s
Added citation module and added references for many functionals Documentation #401: Pull request #222 closed by YHordijk
May 7, 2024 20:54 2s 189-add-references-for-functionals
189-add-references-for-functionals
May 7, 2024 20:54 2s
Merge pull request #224 from TheoChem-VU/223-printing-of-a-list-of-st… Documentation #400: Commit e1892eb pushed by YHordijk
May 6, 2024 12:07 1m 15s main
main
May 6, 2024 12:07 1m 15s
Added tcutility.log.rectangle_list Documentation #399: Pull request #224 closed by YHordijk
May 6, 2024 12:07 3s 223-printing-of-a-list-of-strings-in-a-rectangle
223-printing-of-a-list-of-strings-in-a-rectangle
May 6, 2024 12:07 3s
Fixed missing settings attribute for ORCAJob Documentation #398: Pull request #226 closed by YHordijk
May 3, 2024 11:54 5s 225-missing-settings-attribute-for-orcajob
225-missing-settings-attribute-for-orcajob
May 3, 2024 11:54 5s
Merge pull request #226 from TheoChem-VU/225-missing-settings-attribu… Documentation #397: Commit e784455 pushed by YHordijk
May 3, 2024 11:54 2s main
main
May 3, 2024 11:54 2s
Update pyproject.toml Documentation #396: Commit 8762ec8 pushed by YHordijk
April 30, 2024 14:00 1m 19s main
main
April 30, 2024 14:00 1m 19s