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Use common parser for asap and ase
install-and-test-workflow #510: Commit 08fd7ed pushed by ladinesa
September 13, 2024 14:21 6m 55s 115-problematic-parsing-of-traj-files-from-ase
September 13, 2024 14:21 6m 55s
updated version (#130)
install-and-test-workflow #509: Commit 5f7c2ca pushed by JFRudzinski
September 13, 2024 12:01 6m 49s develop
September 13, 2024 12:01 6m 49s
updated version
install-and-test-workflow #508: Commit b96f5c3 pushed by JFRudzinski
September 13, 2024 11:53 6m 40s update_version
September 13, 2024 11:53 6m 40s
122 rebased to entry point (#125)
install-and-test-workflow #507: Commit 948fcd3 pushed by JFRudzinski
September 13, 2024 11:22 6m 38s develop
September 13, 2024 11:22 6m 38s
clean up
install-and-test-workflow #506: Commit 5075902 pushed by JFRudzinski
September 13, 2024 10:23 6m 51s 122-rebased-to-entry-point
September 13, 2024 10:23 6m 51s
clean up
install-and-test-workflow #505: Commit 5cfef08 pushed by JFRudzinski
September 13, 2024 10:21 53s 122-rebased-to-entry-point
September 13, 2024 10:21 53s
Use pypi pkgs (#128)
install-and-test-workflow #504: Commit 9c43ca0 pushed by ladinesa
September 11, 2024 18:19 6m 35s v1.0
September 11, 2024 18:19 6m 35s
Use pypi pkgs (#128)
install-and-test-workflow #503: Commit 9c43ca0 pushed by ladinesa
September 11, 2024 18:18 6m 59s develop
September 11, 2024 18:18 6m 59s
Fix pyproject
install-and-test-workflow #502: Commit 6d6d4a8 pushed by ladinesa
September 11, 2024 18:09 6m 38s release
September 11, 2024 18:09 6m 38s
Use pypi pkgs
install-and-test-workflow #501: Commit 6fe3e6e pushed by ladinesa
September 11, 2024 18:06 25s release
September 11, 2024 18:06 25s
Fix file parser handling (#127)
install-and-test-workflow #500: Commit 52080e6 pushed by ladinesa
September 11, 2024 08:35 7m 4s develop
September 11, 2024 08:35 7m 4s
Fix file parser handling
install-and-test-workflow #499: Commit 20e1e35 pushed by ladinesa
September 11, 2024 08:24 6m 53s fix-file-parser
September 11, 2024 08:24 6m 53s
Adapt changes to atomutils (#126)
install-and-test-workflow #498: Commit eebca28 pushed by ladinesa
September 10, 2024 11:49 8m 23s develop
September 10, 2024 11:49 8m 23s
Update dep
install-and-test-workflow #497: Commit f34d777 pushed by ladinesa
September 10, 2024 11:26 6m 44s move-mdanalysis
September 10, 2024 11:26 6m 44s
Adapt changes to atomutils
install-and-test-workflow #496: Commit 3aef1b2 pushed by ladinesa
September 9, 2024 19:32 6m 47s move-mdanalysis
September 9, 2024 19:32 6m 47s
add traj examples
install-and-test-workflow #495: Commit 8649119 pushed by schumannj
September 9, 2024 13:53 7m 44s 115-problematic-parsing-of-traj-files-from-ase
September 9, 2024 13:53 7m 44s
initial commit for trajectory parser
install-and-test-workflow #494: Commit ffed367 pushed by schumannj
September 6, 2024 14:06 7m 1s 115-problematic-parsing-of-traj-files-from-ase
September 6, 2024 14:06 7m 1s
Entry point (#121)
install-and-test-workflow #493: Commit cedaf41 pushed by schumannj
September 6, 2024 12:05 6m 52s 115-problematic-parsing-of-traj-files-from-ase
September 6, 2024 12:05 6m 52s
fixed pytest error
install-and-test-workflow #492: Commit bdfc6d1 pushed by JFRudzinski
September 5, 2024 07:46 7m 8s 122-rebased-to-entry-point
September 5, 2024 07:46 7m 8s
removed comments and prints
install-and-test-workflow #491: Commit e289304 pushed by JFRudzinski
September 5, 2024 07:17 6m 42s 122-rebased-to-entry-point
September 5, 2024 07:17 6m 42s
fixed annotation error
install-and-test-workflow #490: Commit e4c9ec7 pushed by JFRudzinski
September 4, 2024 08:51 6m 41s 122-rebased-to-entry-point
September 4, 2024 08:51 6m 41s
removed old getting lambdas comment
install-and-test-workflow #489: Commit 489575a pushed by JFRudzinski
September 4, 2024 08:37 6m 47s 122-rebased-to-entry-point
September 4, 2024 08:37 6m 47s
added gromacs version statements to get_interactions
install-and-test-workflow #488: Commit 48c8159 pushed by JFRudzinski
September 4, 2024 08:36 6m 48s 122-rebased-to-entry-point
September 4, 2024 08:36 6m 48s
add in HDF5Datasets for free energy calculations
install-and-test-workflow #487: Commit 97f4559 pushed by JFRudzinski
September 3, 2024 16:01 6m 49s 122-rebased-to-entry-point
September 3, 2024 16:01 6m 49s
fixed inf problem in test_gromacs
install-and-test-workflow #486: Commit 1a9cce7 pushed by JFRudzinski
September 3, 2024 15:48 7m 10s 122-rebased-to-entry-point
September 3, 2024 15:48 7m 10s