nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-03-25T14:21:20Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1191Resolve "Tabular parsing: bug in datetime quantities read from spreadsheet fi...2023-03-25T14:21:20ZAmir GolparvarResolve "Tabular parsing: bug in datetime quantities read from spreadsheet files"Closes #1410Closes #1410Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1190Resolve "Elemental Composition in Results"2023-05-11T08:56:33ZJose Marquez PrietoResolve "Elemental Composition in Results"Closes #1409Closes #1409Hampus NaesstroemHampus Naesstroemhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1189GitHub PR: Fix formatting error message2023-03-24T15:45:02ZMarkus ScheidgenGitHub PR: Fix formatting error messageOriginal pull request on GitHub: https://github.com/nomad-coe/nomad/pull/48Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/48https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1188GitHub PR: Added documentation to the metainfo_metrics example.2023-03-24T09:27:59ZMarkus ScheidgenGitHub PR: Added documentation to the metainfo_metrics example.Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/55Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/55https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1187Simplified the README.md2023-03-24T09:14:51ZMarkus ScheidgenSimplified the README.mdhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1186Added example script that prints out metainfo metrics.2023-03-23T11:22:01ZMarkus ScheidgenAdded example script that prints out metainfo metrics.Changelog: AddedChangelog: Addedhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1185Make bandgap from different sources searchable2023-04-25T06:47:55ZNathan DaelmanMake bandgap from different sources searchableAdd a bandgap section at the same level of DOS and band structure sections, reading in from both.
All bandgaps are made searchable via the GUI.
Closes #1182 and #1271Add a bandgap section at the same level of DOS and band structure sections, reading in from both.
All bandgaps are made searchable via the GUI.
Closes #1182 and #1271Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1183Resolve "User define quantities are not registered properly"2023-04-01T18:31:09ZTheodore ChangResolve "User define quantities are not registered properly"Closes #1403Closes #1403Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1182Fixed a copy and paste mistake in the docs.2023-04-25T08:21:03ZMarkus ScheidgenFixed a copy and paste mistake in the docs.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1181Changed prod develop deploy to only execute after tests.2023-03-22T15:51:54ZMarkus ScheidgenChanged prod develop deploy to only execute after tests.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1180Changed github push PR action.2023-03-22T14:35:36ZMarkus ScheidgenChanged github push PR action.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1179GitHub PR: Point the README.md to the develop documentation, not staging.2023-03-22T14:22:51ZMarkus ScheidgenGitHub PR: Point the README.md to the develop documentation, not staging.Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/54Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/54https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1177Added missing hdf5 documentation file.2023-04-25T08:21:03ZMarkus ScheidgenAdded missing hdf5 documentation file.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1176Added helper functions for creating topologies2023-03-23T06:28:14ZLauri HimanenAdded helper functions for creating topologiesAdded helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Added helper functions for creating topologies, simplified calculation topology creation accordingly.
Closes #1401Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1175Resolve "Delete uploads including system files"2023-08-02T14:49:43ZMohammad NakhaeeResolve "Delete uploads including system files"Closes #1405Closes #1405Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1174GitHub PR: Updated GitHub action to create unique branch names on gitlab2023-03-22T08:31:59ZMarkus ScheidgenGitHub PR: Updated GitHub action to create unique branch names on gitlabOriginal pull request on GitHub: https://github.com/nomad-coe/nomad/pull/50Original pull request on GitHub: https://github.com/nomad-coe/nomad/pull/50https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1173Fixes metainfo generation from nexus file2023-04-19T13:15:59ZFlorian DobenerFixes metainfo generation from nexus fileThis merge requests adds proper generation of metainfo sections from nexus files to display them within nomad.This merge requests adds proper generation of metainfo sections from nexus files to display them within nomad.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1172Resolve "molecular dynamics support for fhiaims"2023-04-05T12:38:41ZJoseph RudzinskiResolve "molecular dynamics support for fhiaims"Closes #1377Closes #1377Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1171Added definitions and Figures of Merit section2023-03-21T17:46:13ZJose Marquez PrietoAdded definitions and Figures of Merit sectionI have included some definitions and drafted a figure of merit section. Ideally, we would have an algorithm that extracts these parameters automatically from the time-dependent metrics. This is not as trivial as it might look in the begi...I have included some definitions and drafted a figure of merit section. Ideally, we would have an algorithm that extracts these parameters automatically from the time-dependent metrics. This is not as trivial as it might look in the beginning and would be great to discuss it. It would also bring a way to report stability figures of merit in a common standardized manner across the labs we support.
@g-michaelgoette feel free to copy, merge or take whatever you consider from here. If you do not merge, please close the MR and delete the branch afterward.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1170Update parser submodule2023-03-21T13:41:33ZAlvin Noe LadinesUpdate parser submoduleUpdate workflow parser submoduleUpdate workflow parser submoduleAlvin Noe LadinesAlvin Noe Ladines