nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2018-12-05T12:17:49Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/22Repointegration2018-12-05T12:17:49ZMarkus ScheidgenRepointegrationJust to cherrypick some housekeeping changes.Just to cherrypick some housekeeping changes.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/68WIP: Parser dev2019-11-05T11:37:30ZCuauhtemoc Salazartemok@physik.hu-berlin.deWIP: Parser devhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/93v0.7.62020-02-12T21:21:16ZMarkus Scheidgenv0.7.6https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/99Updated the docs on how to operate nomad. Now there is a documentation of the...2020-03-06T08:45:17ZLauri HimanenUpdated the docs on how to operate nomad. Now there is a documentation of the...Updated the docs on how to operate nomad. Now there is a documentation of the CLI (few use cases and command reference) and the whole doctree has been modified for better navigation. Also added a new dev-dependency for sphinx-click that ...Updated the docs on how to operate nomad. Now there is a documentation of the CLI (few use cases and command reference) and the whole doctree has been modified for better navigation. Also added a new dev-dependency for sphinx-click that can autogenerate docs for click.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/113V0.8.02020-05-20T08:32:11ZMarkus ScheidgenV0.8.0Merge for a first v0.8.0 release candidateMerge for a first v0.8.0 release candidatehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/118Bugfixes2020-06-09T08:36:26ZMarkus ScheidgenBugfixeshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/130Bs dos2020-07-10T07:07:55ZMarkus ScheidgenBs doshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/138Removed backed in normalizing2020-08-03T06:32:13ZAlvin Noe LadinesRemoved backed in normalizingRemoved backend in most parts of the normalizing moduleRemoved backend in most parts of the normalizing moduleMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/142Increased the version number.2020-08-12T15:23:01ZMarkus ScheidgenIncreased the version number.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/144Removed backed in normalizing2020-08-12T15:33:22ZMarkus ScheidgenRemoved backed in normalizinghttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/170Parser's README update2020-09-15T11:05:44ZCuauhtemoc Salazartemok@physik.hu-berlin.deParser's README updateNew branch `parser_readme-s`
- detached from `v1.0.0` ~ 5 days ago
- rebased onto `v1.0.0` ~ 4 hours ago
Edited:
- `nomad/cli/dev.py` : new development functions
- `update_parsers_readmes()`
- `update_parsers_metadata()`
- `RE...New branch `parser_readme-s`
- detached from `v1.0.0` ~ 5 days ago
- rebased onto `v1.0.0` ~ 4 hours ago
Edited:
- `nomad/cli/dev.py` : new development functions
- `update_parsers_readmes()`
- `update_parsers_metadata()`
- `README.parsers.md`: changed all `$key$` to camelCase style
- Fixed an old bug on `dependencies/parsers/octopus/octopusparser/aseoct.py`https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/176Dos notebooks2020-09-17T12:04:01ZCuauhtemoc Salazartemok@physik.hu-berlin.deDos notebooksAdded a Jupyter notebook to compare DOS output for different DFT codes. The DOS output is fetched from NOMAD's Archive & Repository.Added a Jupyter notebook to compare DOS output for different DFT codes. The DOS output is fetched from NOMAD's Archive & Repository.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/193Implemented new exciting parser, fix to fileparser2020-10-27T17:29:54ZAlvin Noe LadinesImplemented new exciting parser, fix to fileparserMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/194Md workflow2020-10-27T17:29:26ZAlvin Noe LadinesMd workflowMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/196Exciting parser2020-10-29T16:30:40ZAlvin Noe LadinesExciting parserImplementation of new exciting parser.Implementation of new exciting parser.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/197Md workflow2020-10-29T14:16:12ZAlvin Noe LadinesMd workflowImplementation of new gromacs and lammps parsers. Addition of md workflow.Implementation of new gromacs and lammps parsers. Addition of md workflow.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/201Improved search page layout, fixed issue in band structure plots not showing ...2020-11-02T13:01:53ZLauri HimanenImproved search page layout, fixed issue in band structure plots not showing all segment labels.You can check the changes in the beta deployment: https://nomad-lab.eu/prod/rae/beta/encyclopedia/#/searchYou can check the changes in the beta deployment: https://nomad-lab.eu/prod/rae/beta/encyclopedia/#/searchMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/251Overview page2021-02-08T09:01:31ZLauri HimanenOverview pageContains the first version of the overview page. Has the following "cards":
- material
- method
- entry
- electronic properties
- geometry optimization
- vibrational properties
It would be good to get some comments for the layout/cards ...Contains the first version of the overview page. Has the following "cards":
- material
- method
- entry
- electronic properties
- geometry optimization
- vibrational properties
It would be good to get some comments for the layout/cards before we publish to production.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/298Updated Encyclopedia GUI to a version with improved handling for missing mate...2021-04-06T11:00:45ZLauri HimanenUpdated Encyclopedia GUI to a version with improved handling for missing materials.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/326Implemented new wien2k parser2021-05-03T11:07:42ZAlvin Noe LadinesImplemented new wien2k parserMarkus ScheidgenMarkus Scheidgen