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some missing tracking
install-and-test #436: Commit 685fe98 pushed by JFRudzinski
June 26, 2024 08:14 49s 28-add-md-relevant-outputs
June 26, 2024 08:14 49s
updated force to new structure
install-and-test #435: Commit 353ca15 pushed by JFRudzinski
June 21, 2024 14:28 53s 28-add-md-relevant-outputs
June 21, 2024 14:28 53s
reorganized energy inheritance
install-and-test #434: Commit 1a0fc7b pushed by JFRudzinski
June 21, 2024 06:40 2m 54s 28-add-md-relevant-outputs
June 21, 2024 06:40 2m 54s
removed duplicate properties folder
install-and-test #432: Commit 0d329a9 pushed by JFRudzinski
June 13, 2024 09:20 1m 10s 28-add-md-relevant-outputs
June 13, 2024 09:20 1m 10s
moved molecular
install-and-test #431: Commit fdfba61 pushed by JFRudzinski
June 13, 2024 08:40 46s 28-add-md-relevant-outputs
June 13, 2024 08:40 46s
added TotalEnergy
install-and-test #430: Commit 9bdc61b pushed by JFRudzinski
June 13, 2024 08:33 2m 7s 28-add-md-relevant-outputs
June 13, 2024 08:33 2m 7s
added missing property files by hand
install-and-test #429: Commit 77cfeec pushed by JFRudzinski
June 13, 2024 08:24 44s 28-add-md-relevant-outputs
June 13, 2024 08:24 44s
reorg
install-and-test #428: Commit 219be1e pushed by JFRudzinski
June 13, 2024 08:20 51s 28-add-md-relevant-outputs
June 13, 2024 08:20 51s
removed property.py
install-and-test #425: Commit 4ce7cdf pushed by JFRudzinski
June 12, 2024 15:02 49s 28-add-md-relevant-outputs
June 12, 2024 15:02 49s
Add missing pip install coveralls
install-and-test #424: Commit 00483ec pushed by JosePizarro3
June 6, 2024 14:56 1m 22s develop
June 6, 2024 14:56 1m 22s
Fix github actions to include submission to Coveralls for badge
install-and-test #423: Commit 59e9421 pushed by JosePizarro3
June 6, 2024 14:46 1m 13s develop
June 6, 2024 14:46 1m 13s
Add unit testing (#84)
install-and-test #422: Commit 73ddc7f pushed by JosePizarro3
June 6, 2024 12:27 1m 22s develop
June 6, 2024 12:27 1m 22s
Added uv to pip install in pipeline
install-and-test #421: Commit 47420ac pushed by JosePizarro3
June 6, 2024 12:23 1m 4s 9-add-unit-testing
June 6, 2024 12:23 1m 4s
Fixed README with more info on the script, uv
install-and-test #420: Commit 57be724 pushed by JosePizarro3
June 6, 2024 12:21 2m 21s 9-add-unit-testing
June 6, 2024 12:21 2m 21s
Added info about script in README
install-and-test #419: Commit 6fb221b pushed by JosePizarro3
June 6, 2024 11:48 2m 19s 9-add-unit-testing
June 6, 2024 11:48 2m 19s
Added info about script in README
install-and-test #418: Commit 77f56b9 pushed by JosePizarro3
June 6, 2024 11:46 2m 44s 9-add-unit-testing
June 6, 2024 11:46 2m 44s
Added sh script to generate coverage.txt in the project
install-and-test #415: Commit 3f4308a pushed by JosePizarro3
June 5, 2024 16:10 2m 51s 9-add-unit-testing
June 5, 2024 16:10 2m 51s
Added explicit input and fix testing for atoms_state.py
install-and-test #414: Commit f3b2b43 pushed by JosePizarro3
June 5, 2024 10:23 2m 45s 9-add-unit-testing
June 5, 2024 10:23 2m 45s
Added explicit input and fix testing for atoms_state.py
install-and-test #413: Commit 79af7d0 pushed by JosePizarro3
June 5, 2024 10:22 2m 58s 9-add-unit-testing
June 5, 2024 10:22 2m 58s
Moved testing to test_general.py
install-and-test #412: Commit 908a34b pushed by JosePizarro3
June 5, 2024 10:18 2m 44s 9-add-unit-testing
June 5, 2024 10:18 2m 44s