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build_python_versions.yml
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Create pypi_publish.yml Testing #173: Commit 701d6bb pushed by YHordijk
October 10, 2023 23:18 53s main
main
October 10, 2023 23:18 53s
Merge remote-tracking branch 'origin/main' Testing #172: Commit e253722 pushed by YHordijk
October 10, 2023 23:06 1m 0s main
main
October 10, 2023 23:06 1m 0s
added some example transitionstates with vibrations Testing #171: Commit f71c807 pushed by ksalimans
October 10, 2023 13:53 1m 3s 20-adding-vibration-mode-analysis
20-adding-vibration-mode-analysis
October 10, 2023 13:53 1m 3s
cleanup and better input handling Testing #170: Commit 5c4a0f4 pushed by ksalimans
October 10, 2023 12:14 1m 3s 20-adding-vibration-mode-analysis
20-adding-vibration-mode-analysis
October 10, 2023 12:14 1m 3s
Testing Testing #169: by ksalimans
October 9, 2023 13:52 1m 1s 20-adding-vibration-mode-analysis
20-adding-vibration-mode-analysis
October 9, 2023 13:52 1m 1s
Merge pull request #38 from TheoChem-VU/37-support-for-custom-xyz-files Testing #168: Commit 02ca9f7 pushed by YHordijk
October 5, 2023 14:23 1m 6s main
main
October 5, 2023 14:23 1m 6s
Added a test for reading comments Testing #167: Commit f499232 pushed by YHordijk
October 4, 2023 21:43 1m 2s 37-support-for-custom-xyz-files
37-support-for-custom-xyz-files
October 4, 2023 21:43 1m 2s
Documentation build Testing #166: Commit db9ea86 pushed by YHordijk
October 4, 2023 20:48 1m 2s 37-support-for-custom-xyz-files
37-support-for-custom-xyz-files
October 4, 2023 20:48 1m 2s
Merge remote-tracking branch 'origin/20-adding-vibration-mode-analysi… Testing #165: Commit 7d42e0e pushed by ksalimans
October 2, 2023 12:18 52s 20-adding-vibration-mode-analysis
20-adding-vibration-mode-analysis
October 2, 2023 12:18 52s
Merge pull request #36 from TheoChem-VU/main Testing #164: Commit aa0315e pushed by ksalimans
October 2, 2023 12:14 1m 2s 20-adding-vibration-mode-analysis
20-adding-vibration-mode-analysis
October 2, 2023 12:14 1m 2s
Merge pull request #34 from TheoChem-VU/28-read-vibrationalanalysis-j… Testing #163: Commit a15be9e pushed by SiebeLeDe
October 2, 2023 10:30 1m 10s main
main
October 2, 2023 10:30 1m 10s
Merge pull request #35 from TheoChem-VU/main Testing #162: Commit 99e59a5 pushed by YHordijk
October 1, 2023 20:44 58s 29-read-vibration-data-from-dftb-calcs
29-read-vibration-data-from-dftb-calcs
October 1, 2023 20:44 58s
Merge branch '29-read-vibration-data-from-dftb-calcs' into main Testing #161: Commit cf8b7b2 pushed by YHordijk
October 1, 2023 20:42 56s main
main
October 1, 2023 20:42 56s
Merge pull request #32 from TheoChem-VU/31-use-new-input-reader-exclu… Testing #160: Commit b92f568 pushed by SiebeLeDe
October 1, 2023 16:02 1m 3s main
main
October 1, 2023 16:02 1m 3s
Merge pull request #26 from TheoChem-VU/25-read-and-summarize-the-lev… Testing #159: Commit 6b3939f pushed by YHordijk
September 26, 2023 11:43 56s main
main
September 26, 2023 11:43 56s
Removed unnecessary variable Testing #158: Commit e39f5fc pushed by YHordijk
September 24, 2023 06:28 51s 29-read-vibration-data-from-dftb-calcs
29-read-vibration-data-from-dftb-calcs
September 24, 2023 06:28 51s
Removed property reading from get_calc_settings, as it should not hav… Testing #157: Commit 7e72583 pushed by YHordijk
September 24, 2023 06:25 56s 29-read-vibration-data-from-dftb-calcs
29-read-vibration-data-from-dftb-calcs
September 24, 2023 06:25 56s
Removing unnecessary reader_ams Testing #156: Commit f7f5524 pushed by YHordijk
September 24, 2023 06:20 1m 3s 31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
September 24, 2023 06:20 1m 3s
Now reading task from input from input parser Testing #155: Commit 0a36830 pushed by YHordijk
September 24, 2023 06:18 59s 31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
September 24, 2023 06:18 59s
Documentation build Testing #154: Commit 39c042d pushed by YHordijk
September 24, 2023 06:17 1m 2s 31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
31-use-new-input-reader-exclusively-to-read-values-from-the-user-input
September 24, 2023 06:17 1m 2s
Update build_docs.yml Testing #153: Commit ac37e38 pushed by YHordijk
September 24, 2023 06:06 1m 18s main
main
September 24, 2023 06:06 1m 18s
Update build_docs.yml Testing #152: Commit 9399db0 pushed by YHordijk
September 24, 2023 06:05 1m 2s 28-read-vibrationalanalysis-jobs-has-a-different-folder-structure
28-read-vibrationalanalysis-jobs-has-a-different-folder-structure
September 24, 2023 06:05 1m 2s
Merge pull request #30 from TheoChem-VU/28-read-vibrationalanalysis-j… Testing #151: Commit 76ca8d1 pushed by YHordijk
September 23, 2023 21:49 54s 29-read-vibration-data-from-dftb-calcs
29-read-vibration-data-from-dftb-calcs
September 23, 2023 21:49 54s
Intensities are not written by default for some calculations, so we h… Testing #150: Commit eb6cd39 pushed by YHordijk
September 23, 2023 21:48 48s 28-read-vibrationalanalysis-jobs-has-a-different-folder-structure
28-read-vibrationalanalysis-jobs-has-a-different-folder-structure
September 23, 2023 21:48 48s
Removed the check for adf.rkf presence and moved definition of reader… Testing #149: Commit 3e24c0a pushed by YHordijk
September 23, 2023 21:43 59s 29-read-vibration-data-from-dftb-calcs
29-read-vibration-data-from-dftb-calcs
September 23, 2023 21:43 59s
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