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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
Remove other ref to old run schema install-and-test-workflow #385: Commit bc6ce09 pushed by ladinesa
February 5, 2024 12:06 7m 46s remove-run-schema-from-nomad
remove-run-schema-from-nomad
February 5, 2024 12:06 7m 46s
Merge pull request #86 from nomad-coe/52-lammps-parsing-failure install-and-test-workflow #384: Commit 8e33e0e pushed by JFRudzinski
January 24, 2024 11:19 7m 20s 90-lammps-processing-error-atom-index-out-of-range
90-lammps-processing-error-atom-index-out-of-range
January 24, 2024 11:19 7m 20s
Merge pull request #86 from nomad-coe/52-lammps-parsing-failure install-and-test-workflow #383: Commit 8e33e0e pushed by JFRudzinski
January 23, 2024 08:27 6m 37s develop
develop
January 23, 2024 08:27 6m 37s
Remove other ref to old run schema install-and-test-workflow #382: Commit d5bec0d pushed by ladinesa
January 22, 2024 17:00 7m 42s remove-run-schema-from-nomad
remove-run-schema-from-nomad
January 22, 2024 17:00 7m 42s
Fix md parser install-and-test-workflow #381: Commit e0dd9b0 pushed by ladinesa
January 22, 2024 02:26 3m 15s remove-run-schema-from-nomad
remove-run-schema-from-nomad
January 22, 2024 02:26 3m 15s
changed to general Exception install-and-test-workflow #380: Commit cd1bd91 pushed by JFRudzinski
January 19, 2024 11:17 7m 42s 52-lammps-parsing-failure
52-lammps-parsing-failure
January 19, 2024 11:17 7m 42s
review fixes install-and-test-workflow #379: Commit bc205e0 pushed by JFRudzinski
January 19, 2024 10:53 6m 50s 52-lammps-parsing-failure
52-lammps-parsing-failure
January 19, 2024 10:53 6m 50s
Merge pull request #80 from nomad-coe/61-add-test-for-sd-integrator-g… install-and-test-workflow #378: Commit 1a62fc1 pushed by JFRudzinski
January 19, 2024 10:37 6m 51s develop
develop
January 19, 2024 10:37 6m 51s
improved matching of data file install-and-test-workflow #377: Commit ac8b7d8 pushed by JFRudzinski
January 19, 2024 10:21 6m 57s 52-lammps-parsing-failure
52-lammps-parsing-failure
January 19, 2024 10:21 6m 57s