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TCutility v0.10.3 Documentation #320: Release v0.10.3 published by YHordijk
February 19, 2024 12:12 1m 17s
February 19, 2024 12:12 1m 17s
Running job fatal status is set to False Documentation #319: Pull request #136 closed by SEBeutick
February 13, 2024 14:15 4s 135-running-ams-jobs-status-is-wrongfully-set-to-fatal
135-running-ams-jobs-status-is-wrongfully-set-to-fatal
February 13, 2024 14:15 4s
Merge pull request #136 from TheoChem-VU/135-running-ams-jobs-status-… Documentation #318: Commit eb18644 pushed by SEBeutick
February 13, 2024 14:15 2s main
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February 13, 2024 14:15 2s
Merge pull request #133 from TheoChem-VU/132-remove-the-geometry-conv… Documentation #317: Commit 90b62ba pushed by YHordijk
February 13, 2024 13:12 1m 34s main
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February 13, 2024 13:12 1m 34s
Removed the quality keyword for geometry convergence criteria Documentation #316: Pull request #133 closed by YHordijk
February 13, 2024 13:12 3s 132-remove-the-geometry-convergence-quality-keyword
132-remove-the-geometry-convergence-quality-keyword
February 13, 2024 13:12 3s
Merge pull request #127 from TheoChem-VU/126-setting-scf-iterations-t… Documentation #315: Commit 69fef48 pushed by SEBeutick
February 9, 2024 16:03 1m 27s main
main
February 9, 2024 16:03 1m 27s
ADF will now pretend the job succeeded if the SCF failed if iterations are set to 0 or 1 Documentation #314: Pull request #127 closed by SEBeutick
February 9, 2024 16:03 2s 126-setting-scf-iterations-to-0-always-fails-a-job
126-setting-scf-iterations-to-0-always-fails-a-job
February 9, 2024 16:03 2s
Merge pull request #128 from TheoChem-VU/125-warn-if-atom-belongs-to-… Documentation #313: Commit af18d84 pushed by SEBeutick
February 9, 2024 16:02 1m 17s main
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February 9, 2024 16:02 1m 17s
ADFFragmentJob will now error if an atom is present in multiple fragments Documentation #312: Pull request #128 closed by SEBeutick
February 9, 2024 16:02 2s 125-warn-if-atom-belongs-to-multiple-fragments
125-warn-if-atom-belongs-to-multiple-fragments
February 9, 2024 16:02 2s
Removing ams.log now by default before starting a job Documentation #311: Pull request #130 closed by SEBeutick
February 9, 2024 16:01 4s 129-remove-amslog-when-rerunning-a-calculation
129-remove-amslog-when-rerunning-a-calculation
February 9, 2024 16:01 4s
Merge pull request #130 from TheoChem-VU/129-remove-amslog-when-rerun… Documentation #310: Commit 29d2b86 pushed by SEBeutick
February 9, 2024 16:01 2s main
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February 9, 2024 16:01 2s
Merge pull request #124 from TheoChem-VU/123-add-symmetry-method-to-a… Documentation #309: Commit 710a1cf pushed by SEBeutick
February 8, 2024 10:51 1m 18s main
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February 8, 2024 10:51 1m 18s
Added the symmetry method to ADFJob Documentation #308: Pull request #124 closed by SEBeutick
February 8, 2024 10:51 2s 123-add-symmetry-method-to-adfjob
123-add-symmetry-method-to-adfjob
February 8, 2024 10:51 2s
TCutility v0.10.2 Documentation #307: Release v0.10.2 published by YHordijk
February 7, 2024 14:47 1m 17s
February 7, 2024 14:47 1m 17s
Fixed an error for Python 3.8 Documentation #306: Commit cdc2193 pushed by YHordijk
February 7, 2024 14:45 1m 22s main
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February 7, 2024 14:45 1m 22s
TCutility v0.10.1 Documentation #305: Release v0.10.1 published by YHordijk
February 7, 2024 14:41 1m 45s
February 7, 2024 14:41 1m 45s
Merge pull request #121 from TheoChem-VU/85-pathfunc-module Documentation #304: Commit 0efc53b pushed by YHordijk
February 7, 2024 14:40 1m 11s main
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February 7, 2024 14:40 1m 11s
85 pathfunc module Documentation #303: Pull request #121 closed by YHordijk
February 7, 2024 14:40 4s 85-pathfunc-module
85-pathfunc-module
February 7, 2024 14:40 4s
Merge remote-tracking branch 'origin/main' Documentation #302: Commit 1ca7eca pushed by YHordijk
February 7, 2024 13:33 1m 18s main
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February 7, 2024 13:33 1m 18s
Merge remote-tracking branch 'origin/main' Documentation #301: Commit 827bdcf pushed by YHordijk
February 7, 2024 13:31 1m 25s main
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February 7, 2024 13:31 1m 25s
Fixed an issue where charge and spinpol were not being read if the se… Documentation #300: Commit 281a19f pushed by YHordijk
February 7, 2024 13:20 1m 17s main
main
February 7, 2024 13:20 1m 17s
Now removing the sbatch settings of the original parent job so that t… Documentation #299: Commit 61d33eb pushed by YHordijk
February 7, 2024 13:02 1m 18s main
main
February 7, 2024 13:02 1m 18s
TCutility v0.10.0 Documentation #298: Release v0.10.0 published by YHordijk
February 7, 2024 12:45 1m 24s
February 7, 2024 12:45 1m 24s
Merge pull request #120 from TheoChem-VU/119-add-a-guess-fragments-me… Documentation #297: Commit bdf4a95 pushed by SEBeutick
February 7, 2024 12:44 1m 20s main
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February 7, 2024 12:44 1m 20s
119 add a guess fragments method to adffragmentjob Documentation #296: Pull request #120 closed by SEBeutick
February 7, 2024 12:44 2s 119-add-a-guess-fragments-method-to-adffragmentjob
119-add-a-guess-fragments-method-to-adffragmentjob
February 7, 2024 12:44 2s