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Merge pull request #53 from nomad-coe/merging_TB_and_TightBinding install-and-test-workflow #327: Commit ffd93bc pushed by JosePizarro3
November 20, 2023 10:35 5m 24s develop
develop
November 20, 2023 10:35 5m 24s
Fix BOPfox testing install-and-test-workflow #326: Commit e6b7f22 pushed by JosePizarro3
November 20, 2023 10:35 3m 33s merging_TB_and_TightBinding
merging_TB_and_TightBinding
November 20, 2023 10:35 3m 33s
Fix BOPfox testing install-and-test-workflow #325: Commit 6b713ee pushed by JosePizarro3
November 20, 2023 10:19 3m 31s merging_TB_and_TightBinding
merging_TB_and_TightBinding
November 20, 2023 10:19 3m 31s
Merge pull request #75 from blueraft/adopt-ruff install-and-test-workflow #324: Commit 65f9e51 pushed by ladinesa
November 15, 2023 13:40 7m 15s develop
develop
November 15, 2023 13:40 7m 15s
Fix BOPfox testing install-and-test-workflow #323: Commit de138a4 pushed by JosePizarro3
November 13, 2023 09:52 4m 15s merging_TB_and_TightBinding
merging_TB_and_TightBinding
November 13, 2023 09:52 4m 15s
Fixed testing and adding tb.name install-and-test-workflow #322: Commit 53d00dd pushed by JosePizarro3
November 13, 2023 09:49 4m 55s merging_TB_and_TightBinding
merging_TB_and_TightBinding
November 13, 2023 09:49 4m 55s
Merge pull request #73 from nomad-coe/72-add-bond-list-and-generalize… install-and-test-workflow #321: Commit 0ef1d68 pushed by JFRudzinski
November 7, 2023 09:38 6m 33s develop
develop
November 7, 2023 09:38 6m 33s
fixed other random broken tests install-and-test-workflow #320: Commit 992d851 pushed by JFRudzinski
November 7, 2023 09:30 5m 56s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
November 7, 2023 09:30 5m 56s
removed multi file lammps test to be addressed in another issue install-and-test-workflow #319: Commit 50d8a69 pushed by JFRudzinski
November 7, 2023 09:15 5m 58s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
November 7, 2023 09:15 5m 58s
removed Interaction imports install-and-test-workflow #318: Commit cf0270a pushed by JFRudzinski
November 7, 2023 08:47 8m 16s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
November 7, 2023 08:47 8m 16s
fixed tests install-and-test-workflow #317: Commit d32820a pushed by JFRudzinski
November 7, 2023 08:24 4m 4s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
November 7, 2023 08:24 4m 4s
fixed bug with n_interactions in parse_interactions install-and-test-workflow #316: Commit 970044e pushed by JFRudzinski
November 7, 2023 08:23 3m 56s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
November 7, 2023 08:23 3m 56s
removed some commented out older code install-and-test-workflow #315: Commit 9d32274 pushed by JFRudzinski
November 7, 2023 07:43 5m 22s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
November 7, 2023 07:43 5m 22s
corrected new metadata names in Interactions install-and-test-workflow #314: Commit aa724bd pushed by JFRudzinski
November 6, 2023 08:11 4m 18s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
November 6, 2023 08:11 4m 18s
Fixed testing and adding tb.name install-and-test-workflow #313: Commit 9f2211f pushed by JosePizarro3
November 2, 2023 14:37 5m 0s merging_TB_and_TightBinding
merging_TB_and_TightBinding
November 2, 2023 14:37 5m 0s
basic separation of hdf5 and h5md parsers install-and-test-workflow #312: Commit d28f689 pushed by JFRudzinski
November 1, 2023 15:05 5m 13s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
November 1, 2023 15:05 5m 13s
fixed rebasing issues in lammps parser (sec_system definition was acc… install-and-test-workflow #311: Commit 7b38d7f pushed by JFRudzinski
November 1, 2023 13:47 4m 47s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
November 1, 2023 13:47 4m 47s
use inspect to get members of Interaction install-and-test-workflow #310: Commit 299d279 pushed by JFRudzinski
October 31, 2023 13:45 5m 16s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 31, 2023 13:45 5m 16s
changes from Alvin's review install-and-test-workflow #309: Commit 9a3427b pushed by JFRudzinski
October 31, 2023 10:54 5m 29s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 31, 2023 10:54 5m 29s
moved interaction setting to MDParser install-and-test-workflow #308: Commit 27d395f pushed by JFRudzinski
October 31, 2023 08:21 4m 33s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 31, 2023 08:21 4m 33s
added interaction groupings to gromacs parser install-and-test-workflow #307: Commit 7a7cfd3 pushed by JFRudzinski
October 30, 2023 21:14 5m 31s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 30, 2023 21:14 5m 31s
added tests for global bond_list install-and-test-workflow #306: Commit f3bdb7a pushed by JFRudzinski
October 30, 2023 20:58 4m 40s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 30, 2023 20:58 4m 40s
Merge pull request #70 from nomad-coe/mdanalysis-cleanup install-and-test-workflow #305: Commit 33ae2ef pushed by JFRudzinski
October 30, 2023 15:35 8m 36s 72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
72-add-bond-list-and-generalize-interactions-in-gromacs-and-lammps
October 30, 2023 15:35 8m 36s
added back MDParser class install-and-test-workflow #304: Commit 0c54406 pushed by JFRudzinski
October 30, 2023 15:13 4m 11s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
October 30, 2023 15:13 4m 11s
finished basic workflow results parsing install-and-test-workflow #303: Commit 5e05420 pushed by JFRudzinski
October 30, 2023 14:42 5m 4s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
October 30, 2023 14:42 5m 4s