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Merge pull request #71 from nomad-coe/49-add-support-for-h5md-files install-and-test-workflow #364: Commit 39e5685 pushed by JFRudzinski
January 17, 2024 07:30 4m 38s develop
develop
January 17, 2024 07:30 4m 38s
more changes from review #2 install-and-test-workflow #363: Commit 71b5133 pushed by JFRudzinski
January 16, 2024 14:49 3m 47s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
January 16, 2024 14:49 3m 47s
most 2nd review changes install-and-test-workflow #362: Commit 28f3b73 pushed by JFRudzinski
January 16, 2024 14:18 3m 30s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
January 16, 2024 14:18 3m 30s
test in raw file units install-and-test-workflow #361: Commit c3e86df pushed by JFRudzinski
January 15, 2024 14:55 3m 43s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
January 15, 2024 14:55 3m 43s
removed comments and clean install-and-test-workflow #360: Commit 4f11fa2 pushed by JFRudzinski
January 15, 2024 11:04 4m 2s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
January 15, 2024 11:04 4m 2s
implemented initial functionality of the parse function within the hd… install-and-test-workflow #359: Commit 869266f pushed by JFRudzinski
January 12, 2024 11:33 3m 32s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
January 12, 2024 11:33 3m 32s
small edits to mdanalysis parser install-and-test-workflow #358: Commit 0c8d0b2 pushed by JFRudzinski
January 8, 2024 09:18 5m 57s 37-new-parsing-issues-for-some-lammps-data
37-new-parsing-issues-for-some-lammps-data
January 8, 2024 09:18 5m 57s
added default assignment of unknown atom labels install-and-test-workflow #357: Commit 287d860 pushed by JFRudzinski
January 4, 2024 10:39 5m 45s 37-new-parsing-issues-for-some-lammps-data
37-new-parsing-issues-for-some-lammps-data
January 4, 2024 10:39 5m 45s
Remove workflow schema from nomad (#78) install-and-test-workflow #356: Commit 0e51245 pushed by JFRudzinski
January 4, 2024 09:47 5m 37s 37-new-parsing-issues-for-some-lammps-data
37-new-parsing-issues-for-some-lammps-data
January 4, 2024 09:47 5m 37s
test no program version install-and-test-workflow #355: Commit 18e9b08 pushed by JFRudzinski
January 4, 2024 09:20 5m 52s 61-add-test-for-sd-integrator-gromacs
61-add-test-for-sd-integrator-gromacs
January 4, 2024 09:20 5m 52s
added tests for MD method ENUMS in Gromacs install-and-test-workflow #354: Commit 4e5f168 pushed by JFRudzinski
January 4, 2024 08:56 6m 8s 61-add-test-for-sd-integrator-gromacs
61-add-test-for-sd-integrator-gromacs
January 4, 2024 08:56 6m 8s
Remove workflow schema from nomad (#78) install-and-test-workflow #353: Commit 0e51245 pushed by JFRudzinski
January 3, 2024 14:01 6m 14s 61-add-test-for-sd-integrator-gromacs
61-add-test-for-sd-integrator-gromacs
January 3, 2024 14:01 6m 14s
Fix md parser install-and-test-workflow #352: Commit 1923983 pushed by ladinesa
December 30, 2023 22:41 6m 11s remove-run-schema-from-nomad
remove-run-schema-from-nomad
December 30, 2023 22:41 6m 11s
completely redid parsing of system_info, system, observable_info, obs… install-and-test-workflow #351: Commit 704c5b0 pushed by JFRudzinski
December 19, 2023 13:31 3m 22s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 19, 2023 13:31 3m 22s
changed xxx_info() to parse functions (not properties) install-and-test-workflow #350: Commit 793138e pushed by JFRudzinski
December 19, 2023 08:54 4m 5s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 19, 2023 08:54 4m 5s
direct definitions of h5md groups install-and-test-workflow #349: Commit 0d9007c pushed by JFRudzinski
December 18, 2023 15:56 4m 1s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 18, 2023 15:56 4m 1s
reorg observable_info by time install-and-test-workflow #348: Commit e69637c pushed by JFRudzinski
December 18, 2023 15:27 3m 36s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 18, 2023 15:27 3m 36s
another round of review fixes install-and-test-workflow #347: Commit 1040c59 pushed by JFRudzinski
December 15, 2023 14:35 3m 23s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 15, 2023 14:35 3m 23s
more review fixes install-and-test-workflow #346: Commit da9a36a pushed by JFRudzinski
December 14, 2023 15:59 4m 26s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 14, 2023 15:59 4m 26s
added metainfo for x_h5md_parameters for force calculations, and impl… install-and-test-workflow #345: Commit b6a9aeb pushed by JFRudzinski
December 14, 2023 15:47 4m 4s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 14, 2023 15:47 4m 4s
partial fixes from Alvin's review install-and-test-workflow #344: Commit 9cfb1af pushed by JFRudzinski
December 13, 2023 14:58 3m 26s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 13, 2023 14:58 3m 26s
only access outer hdf5 groups once install-and-test-workflow #343: Commit 15ac3fd pushed by JFRudzinski
December 12, 2023 12:38 3m 38s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 12, 2023 12:38 3m 38s
integrated super parser for H5MD install-and-test-workflow #342: Commit 1e8e478 pushed by JFRudzinski
December 12, 2023 10:21 3m 27s 49-add-support-for-h5md-files
49-add-support-for-h5md-files
December 12, 2023 10:21 3m 27s
Fix pyproject toml install-and-test-workflow #341: Commit 65035f2 pushed by ladinesa
December 8, 2023 14:29 5m 57s remove-run-schema-from-nomad
remove-run-schema-from-nomad
December 8, 2023 14:29 5m 57s
Move basic parser out of nomad install-and-test-workflow #340: Commit 475e0e3 pushed by ladinesa
December 8, 2023 13:38 19s remove-run-schema-from-nomad
remove-run-schema-from-nomad
December 8, 2023 13:38 19s