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Implement general parser class install-and-test-workflow #410: Commit b6c8405 pushed by ladinesa
March 10, 2024 14:28 4m 42s parser-interface
parser-interface
March 10, 2024 14:28 4m 42s
Merge pull request #97 from nomad-coe/96-error-with-h5md-upload install-and-test-workflow #409: Commit 4c72469 pushed by JFRudzinski
March 1, 2024 13:43 8m 15s develop
develop
March 1, 2024 13:43 8m 15s
added check for when an expected keyword is not populated install-and-test-workflow #408: Commit 2d308d0 pushed by JFRudzinski
March 1, 2024 13:02 7m 34s 96-error-with-h5md-upload
96-error-with-h5md-upload
March 1, 2024 13:02 7m 34s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #407: Commit 4741354 pushed by JFRudzinski
March 1, 2024 08:51 7m 28s 96-error-with-h5md-upload
96-error-with-h5md-upload
March 1, 2024 08:51 7m 28s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #406: Commit 4741354 pushed by JFRudzinski
February 29, 2024 13:25 7m 27s 95-refactoring-of-md-method-parameters-and-results-properties
95-refactoring-of-md-method-parameters-and-results-properties
February 29, 2024 13:25 7m 27s
Merge pull request #94 from nomad-coe/91-add-gromacs-support-for-fe-c… install-and-test-workflow #405: Commit 4741354 pushed by JFRudzinski
February 29, 2024 13:23 8m 23s develop
develop
February 29, 2024 13:23 8m 23s
kind to type install-and-test-workflow #404: Commit eaad4bb pushed by JFRudzinski
February 29, 2024 13:06 9m 5s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 29, 2024 13:06 9m 5s
fixed tests install-and-test-workflow #403: Commit 7cc3a55 pushed by JFRudzinski
February 28, 2024 08:05 4m 58s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 28, 2024 08:05 4m 58s
switched to booleans install-and-test-workflow #402: Commit 80867bb pushed by JFRudzinski
February 28, 2024 08:02 4m 30s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 28, 2024 08:02 4m 30s
added method check to tests install-and-test-workflow #401: Commit f236846 pushed by JFRudzinski
February 27, 2024 15:58 4m 52s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 15:58 4m 52s
fixed to_floats install-and-test-workflow #400: Commit 398ab54 pushed by JFRudzinski
February 27, 2024 15:53 7m 10s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 15:53 7m 10s
review fixes install-and-test-workflow #399: Commit 6a426bd pushed by JFRudzinski
February 27, 2024 15:40 10m 18s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 15:40 10m 18s
commented back in old tests install-and-test-workflow #398: Commit de32500 pushed by JFRudzinski
February 27, 2024 13:49 7m 5s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 13:49 7m 5s
added tests install-and-test-workflow #397: Commit 43beaf6 pushed by JFRudzinski
February 27, 2024 11:46 7m 8s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 27, 2024 11:46 7m 8s
removed comments install-and-test-workflow #396: Commit 2ae037f pushed by JFRudzinski
February 26, 2024 15:01 7m 30s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 26, 2024 15:01 7m 30s
added check for when free_energies dict is None install-and-test-workflow #395: Commit d415d0e pushed by JFRudzinski
February 26, 2024 14:55 7m 18s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 26, 2024 14:55 7m 18s
completed xvg parser install-and-test-workflow #394: Commit 6dc1257 pushed by JFRudzinski
February 26, 2024 14:48 7m 26s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 26, 2024 14:48 7m 26s
grab the FE params install-and-test-workflow #393: Commit facfeff pushed by JFRudzinski
February 9, 2024 09:06 7m 7s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 9, 2024 09:06 7m 7s
grab the FE params install-and-test-workflow #392: Commit 9c5c88b pushed by JFRudzinski
February 9, 2024 09:04 7m 11s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 9, 2024 09:04 7m 11s
Merge pull request #93 from nomad-coe/92-add-check-for-atom-labels-th… install-and-test-workflow #391: Commit 8c25a4c pushed by JFRudzinski
February 8, 2024 14:22 6m 57s develop
develop
February 8, 2024 14:22 6m 57s
moved imports and more direct check install-and-test-workflow #390: Commit 05ec8ef pushed by JFRudzinski
February 8, 2024 12:57 8m 24s 92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
February 8, 2024 12:57 8m 24s
added check to replace non-element atom labels install-and-test-workflow #389: Commit dfe4adf pushed by JFRudzinski
February 8, 2024 12:32 6m 59s 92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
February 8, 2024 12:32 6m 59s
Use run schema plug in (#79) install-and-test-workflow #388: Commit 35eb78b pushed by JFRudzinski
February 8, 2024 11:46 7m 5s 92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
92-add-check-for-atom-labels-that-are-not-elements-in-atomistic-parsers
February 8, 2024 11:46 7m 5s
Use run schema plug in (#79) install-and-test-workflow #387: Commit 35eb78b pushed by JFRudzinski
February 7, 2024 08:14 7m 24s 91-add-gromacs-support-for-fe-calculations
91-add-gromacs-support-for-fe-calculations
February 7, 2024 08:14 7m 24s
Use run schema plug in (#79) install-and-test-workflow #386: Commit 35eb78b pushed by ladinesa
February 5, 2024 12:16 7m 4s develop
develop
February 5, 2024 12:16 7m 4s