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Now casting the return dict object to a Result object for guess_fragm… Documentation #370: Pull request #192 closed by YHordijk
April 2, 2024 23:36 4s 191-moleculeguess_fragments-returns-a-python-dict-instead-of-a-result-object
191-moleculeguess_fragments-returns-a-python-dict-instead-of-a-result-object
April 2, 2024 23:36 4s
v0.11.1 Documentation #369: Release v0.11.1 published by YHordijk
March 26, 2024 16:33 2m 1s
March 26, 2024 16:33 2m 1s
Update MANIFEST.in Documentation #368: Commit 22ea83f pushed by YHordijk
March 26, 2024 16:31 1m 27s main
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March 26, 2024 16:31 1m 27s
Sampling of minimum volume spheroids of molecules Documentation #367: Pull request #181 closed by YHordijk
March 25, 2024 13:13 2s 180-add-sampling-of-minimum-volume-spheroids-of-molecules
180-add-sampling-of-minimum-volume-spheroids-of-molecules
March 25, 2024 13:13 2s
Merge pull request #181 from TheoChem-VU/180-add-sampling-of-minimum-… Documentation #366: Commit f46f879 pushed by YHordijk
March 25, 2024 13:13 1m 38s main
main
March 25, 2024 13:13 1m 38s
184 do not run a calculation if its set up failed Documentation #365: Pull request #185 closed by YHordijk
March 25, 2024 09:55 2s 184-do-not-run-a-calculation-if-its-set-up-failed
184-do-not-run-a-calculation-if-its-set-up-failed
March 25, 2024 09:55 2s
Merge pull request #185 from TheoChem-VU/184-do-not-run-a-calculation… Documentation #364: Commit 700e42b pushed by YHordijk
March 25, 2024 09:55 1m 21s main
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March 25, 2024 09:55 1m 21s
TCutility v0.11.0 Documentation #363: Release v0.11.0 published by YHordijk
March 21, 2024 15:32 1m 52s
March 21, 2024 15:32 1m 52s
Merge pull request #178 from TheoChem-VU/177-add-cli-command-to-read-… Documentation #362: Commit 8a09e88 pushed by YHordijk
March 21, 2024 15:26 1m 20s main
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March 21, 2024 15:26 1m 20s
177 add cli command to read a calculation Documentation #361: Pull request #178 closed by YHordijk
March 21, 2024 15:26 4s 177-add-cli-command-to-read-a-calculation
177-add-cli-command-to-read-a-calculation
March 21, 2024 15:26 4s
Added command line scripts for concatening irc paths Documentation #360: Pull request #168 closed by SiebeLeDe
March 21, 2024 15:24 9s 154-add-command-line-scripts
154-add-command-line-scripts
March 21, 2024 15:24 9s
Merge pull request #168 from TheoChem-VU/154-add-command-line-scripts Documentation #359: Commit 3c743ff pushed by SiebeLeDe
March 21, 2024 15:24 5s main
main
March 21, 2024 15:24 5s
Merge pull request #171 from TheoChem-VU/166-add-test-for-counting-vi… Documentation #358: Commit 81e2ba3 pushed by YHordijk
March 18, 2024 15:30 1m 20s main
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March 18, 2024 15:30 1m 20s
166 add test for counting virtuals Documentation #357: Pull request #171 closed by YHordijk
March 18, 2024 15:30 2s 166-add-test-for-counting-virtuals
166-add-test-for-counting-virtuals
March 18, 2024 15:30 2s
Added the electric_field method for AMSJob classes Documentation #356: Pull request #173 closed by YHordijk
March 18, 2024 15:28 5s 172-add-method-for-setting-an-electric-field-for-adf-calculations
172-add-method-for-setting-an-electric-field-for-adf-calculations
March 18, 2024 15:28 5s
Merge pull request #173 from TheoChem-VU/172-add-method-for-setting-a… Documentation #355: Commit 4cf2a82 pushed by YHordijk
March 18, 2024 15:28 2s main
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March 18, 2024 15:28 2s
Merge pull request #175 from TheoChem-VU/174-issue-with-writing-molec… Documentation #354: Commit 0c04ee7 pushed by YHordijk
March 18, 2024 13:05 2s main
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March 18, 2024 13:05 2s
Now checking if the molecule has a comment attribute or not Documentation #353: Pull request #175 closed by YHordijk
March 18, 2024 13:05 6s 174-issue-with-writing-molecules-when-the-molecule-does-not-have-a-comment-variable
174-issue-with-writing-molecules-when-the-molecule-does-not-have-a-comment-variable
March 18, 2024 13:05 6s
Merge pull request #169 from TheoChem-VU/167-add-option-for-setting-o… Documentation #352: Commit 562f2a1 pushed by YHordijk
March 15, 2024 12:00 1m 29s main
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March 15, 2024 12:00 1m 29s
Added the occupations method Documentation #351: Pull request #169 closed by YHordijk
March 15, 2024 12:00 3s 167-add-option-for-setting-occupations
167-add-option-for-setting-occupations
March 15, 2024 12:00 3s
Merge pull request #170 from TheoChem-VU/revert-158-157-improve-pathf… Documentation #350: Commit 61876ac pushed by YHordijk
March 14, 2024 22:19 1m 30s main
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March 14, 2024 22:19 1m 30s
Revert "Added support for matching files" Documentation #349: Pull request #170 closed by YHordijk
March 14, 2024 22:19 3s revert-158-157-improve-pathfuncmatch-to-support-matching-of-files
revert-158-157-improve-pathfuncmatch-to-support-matching-of-files
March 14, 2024 22:19 3s
Merge pull request #158 from TheoChem-VU/157-improve-pathfuncmatch-to… Documentation #348: Commit cbc0a88 pushed by YHordijk
March 13, 2024 22:36 1m 32s main
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March 13, 2024 22:36 1m 32s
Added support for matching files Documentation #347: Pull request #158 closed by YHordijk
March 13, 2024 22:36 2s 157-improve-pathfuncmatch-to-support-matching-of-files
157-improve-pathfuncmatch-to-support-matching-of-files
March 13, 2024 22:36 2s
Merge pull request #163 from TheoChem-VU/162-output-of-locally-run-jo… Documentation #346: Commit f4a92bc pushed by SEBeutick
March 12, 2024 16:05 1m 28s main
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March 12, 2024 16:05 1m 28s