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TCutility v0.12.0 Documentation #395: Release v0.12.0 published by YHordijk
April 29, 2024 13:35 1m 16s
April 29, 2024 13:35 1m 16s
Merge pull request #218 from TheoChem-VU/217-missing-functionals Documentation #394: Commit d67f5a3 pushed by YHordijk
April 29, 2024 13:32 1m 25s main
main
April 29, 2024 13:32 1m 25s
217 missing functionals Documentation #393: Pull request #218 closed by YHordijk
April 29, 2024 13:32 2s 217-missing-functionals
217-missing-functionals
April 29, 2024 13:32 2s
217 missing functionals Documentation #392: Pull request #218 closed by SEBeutick
April 29, 2024 13:29 6s 217-missing-functionals
217-missing-functionals
April 29, 2024 13:29 6s
208 add character width prediction Documentation #391: Pull request #209 closed by SiebeLeDe
April 28, 2024 14:57 2s 208-add-character-width-prediction
208-add-character-width-prediction
April 28, 2024 14:57 2s
Merge pull request #209 from TheoChem-VU/208-add-character-width-pred… Documentation #390: Commit c8c349e pushed by SiebeLeDe
April 28, 2024 14:57 1m 22s main
main
April 28, 2024 14:57 1m 22s
Improvements to ORCA support Documentation #389: Pull request #207 closed by YHordijk
April 25, 2024 14:00 2s 122-expand-the-orcajob
122-expand-the-orcajob
April 25, 2024 14:00 2s
Merge pull request #207 from TheoChem-VU/122-expand-the-orcajob Documentation #388: Commit 39fba33 pushed by YHordijk
April 25, 2024 14:00 1m 55s main
main
April 25, 2024 14:00 1m 55s
Merge pull request #213 from TheoChem-VU/210-read-pesscan-properties-… Documentation #387: Commit 78f30d4 pushed by YHordijk
April 25, 2024 13:18 3s main
main
April 25, 2024 13:18 3s
We now read some PESScan properties Documentation #386: Pull request #213 closed by YHordijk
April 25, 2024 13:18 13s 210-read-pesscan-properties-for-amsjobs
210-read-pesscan-properties-for-amsjobs
April 25, 2024 13:18 13s
Merge pull request #214 from TheoChem-VU/212-add-support-for-radical-… Documentation #385: Commit 6d341ff pushed by YHordijk
April 25, 2024 13:17 29s main
main
April 25, 2024 13:17 29s
Added the radical dot to formula.molecule Documentation #384: Pull request #214 closed by YHordijk
April 25, 2024 13:17 3s 212-add-support-for-radical-dot-in-formulamolecule
212-add-support-for-radical-dot-in-formulamolecule
April 25, 2024 13:17 3s
Merge pull request #216 from TheoChem-VU/215-get-functional-informati… Documentation #383: Commit 332f26d pushed by YHordijk
April 25, 2024 13:17 28s main
main
April 25, 2024 13:17 28s
We can now get functional info by the path safe name Documentation #382: Pull request #216 closed by YHordijk
April 25, 2024 13:17 5s 215-get-functional-information-by-its-pathsafe-name
215-get-functional-information-by-its-pathsafe-name
April 25, 2024 13:17 5s
Merge pull request #202 from TheoChem-VU/201-missing-settings-attribu… Documentation #381: Commit 7fcc840 pushed by YHordijk
April 18, 2024 09:42 1m 21s main
main
April 18, 2024 09:42 1m 21s
Added the settings attribute for DensfJob Documentation #380: Pull request #202 closed by YHordijk
April 18, 2024 09:42 2s 201-missing-settings-attribute-in-densfjob
201-missing-settings-attribute-in-densfjob
April 18, 2024 09:42 2s
Added the __sizeof__ method and also the getsizeof method Documentation #379: Pull request #200 closed by YHordijk
April 18, 2024 09:42 7s 199-add-a-way-to-get-the-memory-size-of-a-result-object
199-add-a-way-to-get-the-memory-size-of-a-result-object
April 18, 2024 09:42 7s
Merge pull request #200 from TheoChem-VU/199-add-a-way-to-get-the-mem… Documentation #378: Commit fd62bf5 pushed by YHordijk
April 18, 2024 09:42 2s main
main
April 18, 2024 09:42 2s
Merge pull request #198 from TheoChem-VU/197-logloadbar-does-not-work… Documentation #377: Commit 104c629 pushed by YHordijk
April 11, 2024 16:46 1m 27s main
main
April 11, 2024 16:46 1m 27s
Added support for generator expressions for loadbar Documentation #376: Pull request #198 closed by YHordijk
April 11, 2024 16:46 2s 197-logloadbar-does-not-work-with-generators
197-logloadbar-does-not-work-with-generators
April 11, 2024 16:46 2s
183 add job inheriting Documentation #375: Pull request #186 closed by YHordijk
April 11, 2024 16:45 1s 183-add-job-inheriting
183-add-job-inheriting
April 11, 2024 16:45 1s
Merge pull request #186 from TheoChem-VU/183-add-job-inheriting Documentation #374: Commit db6ffbb pushed by YHordijk
April 11, 2024 16:45 50s main
main
April 11, 2024 16:45 50s
193 read the s2 operator expectation value and spin contamination for adf calculations Documentation #373: Pull request #194 closed by YHordijk
April 4, 2024 09:38 5s 193-read-the-s2-operator-expectation-value-and-spin-contamination-for-adf-calculations
193-read-the-s2-operator-expectation-value-and-spin-contamination-for-adf-calculations
April 4, 2024 09:38 5s
Merge pull request #194 from TheoChem-VU/193-read-the-s2-operator-exp… Documentation #372: Commit f4f629f pushed by YHordijk
April 4, 2024 09:38 1m 20s main
main
April 4, 2024 09:38 1m 20s
Merge pull request #192 from TheoChem-VU/191-moleculeguess_fragments-… Documentation #371: Commit b7fdb4a pushed by YHordijk
April 2, 2024 23:36 2s main
main
April 2, 2024 23:36 2s