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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
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
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
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
122-rebased-to-entry-point
September 3, 2024 15:48 7m 10s
fixed input params tests install-and-test-workflow #485: Commit e5dbac8 pushed by JFRudzinski
September 3, 2024 14:50 6m 52s 122-rebased-to-entry-point
122-rebased-to-entry-point
September 3, 2024 14:50 6m 52s
Fix file parser handling install-and-test-workflow #484: Commit 86f7650 pushed by ladinesa
September 3, 2024 12:04 3m 5s fix-file-parser
fix-file-parser
September 3, 2024 12:04 3m 5s
change mdp parsing to only non-log quantities install-and-test-workflow #483: Commit 4ab78c3 pushed by JFRudzinski
September 3, 2024 11:38 6m 19s 122-rebased-to-entry-point
122-rebased-to-entry-point
September 3, 2024 11:38 6m 19s
change mdp parsing to only non-log quantities install-and-test-workflow #482: Commit 810ad1a pushed by JFRudzinski
September 3, 2024 11:33 6m 18s 122-rebased-to-entry-point
122-rebased-to-entry-point
September 3, 2024 11:33 6m 18s
Entry point (#121) install-and-test-workflow #481: Commit cedaf41 pushed by ladinesa
September 2, 2024 09:01 6m 50s develop
develop
September 2, 2024 09:01 6m 50s
Add aliases install-and-test-workflow #480: Commit 6e907aa pushed by ladinesa
August 29, 2024 10:38 6m 43s entry-point
entry-point
August 29, 2024 10:38 6m 43s
Use file context install-and-test-workflow #479: Commit 7ec2d17 pushed by ladinesa
August 28, 2024 22:19 8m 14s fix-file-parser
fix-file-parser
August 28, 2024 22:19 8m 14s
Remove imports install-and-test-workflow #478: Commit a1dade1 pushed by ladinesa
August 28, 2024 09:49 6m 47s entry-point
entry-point
August 28, 2024 09:49 6m 47s
dumping all input parameters to JSON now, fixed some testing install-and-test-workflow #477: Commit e36239a pushed by JFRudzinski
August 27, 2024 14:36 8m 23s 122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
August 27, 2024 14:36 8m 23s
fixed test typing install-and-test-workflow #476: Commit b67a5e3 pushed by JFRudzinski
August 27, 2024 13:18 8m 19s 122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
August 27, 2024 13:18 8m 19s
improved parsing of input parameters in str_to_input_parameters install-and-test-workflow #475: Commit e2ae41b pushed by JFRudzinski
August 27, 2024 13:04 4m 5s 122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
August 27, 2024 13:04 4m 5s
Revert install-and-test-workflow #474: Commit 0db9528 pushed by ladinesa
August 27, 2024 12:24 7m 10s entry-point
entry-point
August 27, 2024 12:24 7m 10s
Fix init install-and-test-workflow #473: Commit 4f28617 pushed by ladinesa
August 27, 2024 10:15 6m 45s entry-point
entry-point
August 27, 2024 10:15 6m 45s
Correct parser name install-and-test-workflow #472: Commit 4c53613 pushed by ladinesa
August 26, 2024 18:07 7m 18s entry-point
entry-point
August 26, 2024 18:07 7m 18s
Add other parser specs install-and-test-workflow #471: Commit 33d1cd6 pushed by ladinesa
August 26, 2024 16:50 6m 59s entry-point
entry-point
August 26, 2024 16:50 6m 59s
added nomad_plugin.yaml install-and-test-workflow #470: Commit e28a848 pushed by JFRudzinski
August 26, 2024 13:32 1m 51s 15-add-support-for-hoomd-blue
15-add-support-for-hoomd-blue
August 26, 2024 13:32 1m 51s
Remove menv (#123) install-and-test-workflow #469: Commit 37a86dd pushed by JFRudzinski
August 26, 2024 12:43 8m 28s 122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
August 26, 2024 12:43 8m 28s
Fix metainfo issue in h5md install-and-test-workflow #468: Commit 3e8fa27 pushed by ladinesa
August 26, 2024 12:32 6m 54s entry-point
entry-point
August 26, 2024 12:32 6m 54s
Remove menv (#123) install-and-test-workflow #467: Commit 37a86dd pushed by ladinesa
August 23, 2024 17:05 9m 28s develop
develop
August 23, 2024 17:05 9m 28s
Fix commit install-and-test-workflow #466: Commit 3c6197d pushed by ladinesa
August 23, 2024 16:56 8m 19s remove-menv
remove-menv
August 23, 2024 16:56 8m 19s
Update dep install-and-test-workflow #465: Commit 1dd49e9 pushed by ladinesa
August 23, 2024 16:38 8m 31s remove-menv
remove-menv
August 23, 2024 16:38 8m 31s