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Revert unwanted commit
install-and-test-workflow #460: Commit 15a8ae5 pushed by ladinesa
August 22, 2024 11:52 7m 6s entry-point
August 22, 2024 11:52 7m 6s
Add missing nomad deps
install-and-test-workflow #459: Commit 3220da0 pushed by ladinesa
August 22, 2024 11:48 23s entry-point
August 22, 2024 11:48 23s
Add coondition for writing to h5
install-and-test-workflow #458: Commit e2b7dfd pushed by ladinesa
August 22, 2024 11:44 7m 0s entry-point
August 22, 2024 11:44 7m 0s
Update deps
install-and-test-workflow #457: Commit 2b2887b pushed by ladinesa
August 22, 2024 11:28 7m 4s entry-point
August 22, 2024 11:28 7m 4s
Update nomad-lab
install-and-test-workflow #456: Commit ba36696 pushed by ladinesa
August 22, 2024 11:24 1m 28s entry-point
August 22, 2024 11:24 1m 28s
Ruff format
install-and-test-workflow #455: Commit d1bd4f0 pushed by ladinesa
August 22, 2024 11:22 3m 14s entry-point
August 22, 2024 11:22 3m 14s
Merge pull request #117 from nomad-coe/fix-unit-conversion
install-and-test-workflow #452: Commit 5e966c8 pushed by Bernadette-Mohr
July 29, 2024 12:36 9m 15s develop
July 29, 2024 12:36 9m 15s
Updated target values in gromacsparser tests
install-and-test-workflow #451: Commit 8e9e6d0 pushed by Bernadette-Mohr
July 29, 2024 12:25 9m 58s fix-unit-conversion
July 29, 2024 12:25 9m 58s
Units still need to be checked
install-and-test-workflow #450: Commit 811b9fc pushed by Bernadette-Mohr
July 26, 2024 18:17 9m 46s fix-unit-conversion
July 26, 2024 18:17 9m 46s
Updated test
install-and-test-workflow #449: Commit a3dd20f pushed by Bernadette-Mohr
July 26, 2024 18:05 9m 40s fix-unit-conversion
July 26, 2024 18:05 9m 40s
Updated test
install-and-test-workflow #448: Commit 6b4ab6f pushed by Bernadette-Mohr
July 26, 2024 16:49 9m 27s fix-unit-conversion
July 26, 2024 16:49 9m 27s
Fixed incorrect conversion of kJ/mol to J
install-and-test-workflow #447: Commit 983119d pushed by Bernadette-Mohr
July 26, 2024 16:36 9m 26s fix-unit-conversion
July 26, 2024 16:36 9m 26s
Add error handling asap parser (#116)
install-and-test-workflow #446: Commit 81682c8 pushed by Bernadette-Mohr
July 26, 2024 16:32 9m 43s fix-unit-conversion
July 26, 2024 16:32 9m 43s
Add error handling asap parser (#116)
install-and-test-workflow #445: Commit 81682c8 pushed by ladinesa
July 3, 2024 23:10 28m 15s develop
July 3, 2024 23:10 28m 15s
Add error handling asap parser
install-and-test-workflow #444: Commit b544e56 pushed by ladinesa
July 3, 2024 23:00 9m 26s fix-asap
July 3, 2024 23:00 9m 26s
Merge pull request #113 from nomad-coe/112-update-gromacs-parser
install-and-test-workflow #443: Commit 66ecb53 pushed by Bernadette-Mohr
June 20, 2024 13:06 9m 44s develop
June 20, 2024 13:06 9m 44s
added comment
install-and-test-workflow #442: Commit a6bea18 pushed by JFRudzinski
June 20, 2024 10:11 11m 38s test_pipeline
June 20, 2024 10:11 11m 38s
Merge pull request #111 from nomad-coe/108-add-support-for-mole-in-en…
install-and-test-workflow #441: Commit 26395a3 pushed by JFRudzinski
June 20, 2024 10:10 3m 29s test_pipeline
June 20, 2024 10:10 3m 29s
Merge pull request #111 from nomad-coe/108-add-support-for-mole-in-en…
install-and-test-workflow #439: Commit 26395a3 pushed by JFRudzinski
June 20, 2024 07:27 16m 57s develop
June 20, 2024 07:27 16m 57s
removed deprecated dependency on archive.m_context
install-and-test-workflow #438: Commit aa3325d pushed by Bernadette-Mohr
June 19, 2024 15:26 9m 38s 112-update-gromacs-parser
June 19, 2024 15:26 9m 38s
Fix quantity types (#106)
install-and-test-workflow #437: Commit 7e2734d pushed by Bernadette-Mohr
June 19, 2024 15:07 8m 59s 112-update-gromacs-parser
June 19, 2024 15:07 8m 59s