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TCutility v0.13.3 Documentation #433: Release v0.13.3 published by YHordijk
June 4, 2024 13:48 1m 21s
June 4, 2024 13:48 1m 21s
Merge remote-tracking branch 'origin/main' Documentation #432: Commit 9e14ed2 pushed by YHordijk
June 4, 2024 09:23 1m 28s main
main
June 4, 2024 09:23 1m 28s
TCutility v0.13.2 Documentation #431: Release v0.13.2 published by YHordijk
June 3, 2024 12:09 1m 34s
June 3, 2024 12:09 1m 34s
Fixed an issue related to failed jobs and KFFile creation Documentation #430: Pull request #253 closed by YHordijk
June 3, 2024 11:30 4s 252-issue-with-kffile-creation-errors
252-issue-with-kffile-creation-errors
June 3, 2024 11:30 4s
Merge pull request #253 from TheoChem-VU/252-issue-with-kffile-creati… Documentation #429: Commit 3ad08ae pushed by YHordijk
June 3, 2024 11:30 2s main
main
June 3, 2024 11:30 2s
Merge pull request #247 from TheoChem-VU/239-error-when-rerunning-fai… Documentation #428: Commit b3fc0b3 pushed by YHordijk
May 28, 2024 14:12 1m 18s main
main
May 28, 2024 14:12 1m 18s
Fixed error related to lingering KFFiles when rerunning jobs Documentation #427: Pull request #247 closed by YHordijk
May 28, 2024 14:12 4s 239-error-when-rerunning-failed-calculation
239-error-when-rerunning-failed-calculation
May 28, 2024 14:12 4s
Merge pull request #246 from TheoChem-VU/244-orca-frequencies-not-bei… Documentation #426: Commit 3152fda pushed by YHordijk
May 28, 2024 14:12 2s main
main
May 28, 2024 14:12 2s
Fixed Orca frequencies not being read correctly with numerical frequencies Documentation #425: Pull request #246 closed by YHordijk
May 28, 2024 14:12 13s 244-orca-frequencies-not-being-read-correctly-with-numerical-frequencies
244-orca-frequencies-not-being-read-correctly-with-numerical-frequencies
May 28, 2024 14:12 13s
Merge pull request #248 from TheoChem-VU/243-add-references-for-asm Documentation #424: Commit edf3b09 pushed by YHordijk
May 28, 2024 14:11 33s main
main
May 28, 2024 14:11 33s
Added missing citations for ASM Documentation #423: Pull request #248 closed by YHordijk
May 28, 2024 14:11 2s 243-add-references-for-asm
243-add-references-for-asm
May 28, 2024 14:11 2s
Added a missing settings object for DFTBJob Documentation #422: Pull request #241 closed by YHordijk
May 28, 2024 14:11 8s 240-missing-settings-attribute-for-dftbjob
240-missing-settings-attribute-for-dftbjob
May 28, 2024 14:11 8s
Merge pull request #241 from TheoChem-VU/240-missing-settings-attribu… Documentation #421: Commit 7e3fea1 pushed by YHordijk
May 28, 2024 14:11 2s main
main
May 28, 2024 14:11 2s
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