nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-11-08T12:37:52Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/931Keep track of exact data path in the archive browser2022-11-08T12:37:52ZDavid SikterKeep track of exact data path in the archive browserCloses #1166. Until now, it hasn't been necessary to keep track of the exact path in the browser, but for handling bi-directional references etc, having the exact path is necessary. Changes the Adaptor code to use the exact url of obj, r...Closes #1166. Until now, it hasn't been necessary to keep track of the exact path in the browser, but for handling bi-directional references etc, having the exact path is necessary. Changes the Adaptor code to use the exact url of obj, rather than just providing a baseUrl that enables us to resolve references. Also fixes the recursive browsing gui tests so they expand collapsed compartments.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/919Hybrid mixing coefficient2022-11-04T07:03:53ZNathan DaelmanHybrid mixing coefficientAs discussed in issue https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/851, I have connected the hybrid coefficient α (`exact_exchange_mixing_factor`) to the GUI.
I re-used the XCFunctional.hybrid.parameter to store the coeffici...As discussed in issue https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/851, I have connected the hybrid coefficient α (`exact_exchange_mixing_factor`) to the GUI.
I re-used the XCFunctional.hybrid.parameter to store the coefficient in the `run` section, but standardized the key value.
The updated parsers are VASP and FHI-aims with added tests.Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/921Resolve "GUI often glitches when uploading files via drag & drop"2022-11-03T14:57:41ZDavid SikterResolve "GUI often glitches when uploading files via drag & drop"Closes #1161. Upgrades `react-dropzone` to the latest version, and adjusts the custom dropzone component to solve glitching behaviour.Closes #1161. Upgrades `react-dropzone` to the latest version, and adjusts the custom dropzone component to solve glitching behaviour.David SikterDavid Sikterhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/923Updated materia submodule.2022-11-03T13:44:22ZLauri HimanenUpdated materia submodule.Closes #1163Closes #1163https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/924Resolve "Items lists in results table do not display correctly"2022-11-03T12:50:34ZLauri HimanenResolve "Items lists in results table do not display correctly"Closes #1158Closes #1158https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/918Resolve "2D statistic plot"2022-11-02T07:21:42ZMohammad NakhaeeResolve "2D statistic plot"Related to #961Related to #961Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/916Added logic for updating entry data based on overview visibility.2022-11-01T08:31:26ZLauri HimanenAdded logic for updating entry data based on overview visibility.Closes #1153Closes #1153Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/914Resolve "Sorting added columns in ELN Search entry fails"2022-10-31T10:38:13ZLauri HimanenResolve "Sorting added columns in ELN Search entry fails"Closes #1146Closes #1146Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/913Delay import of resource2022-10-31T07:04:48ZTheodore ChangDelay import of resourceAs per discussion in slack.
Delay import of resource module which is not available on Windows.As per discussion in slack.
Delay import of resource module which is not available on Windows.Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/904Use __future__ module2022-10-28T14:23:18ZTheodore ChangUse __future__ moduleTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/873Resolve "Add Wannier90 parser"2022-10-28T07:36:38ZJose PizarroResolve "Add Wannier90 parser"Closing #1115Closing #1115Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/912Added update parameter to useEntryPageContext, simplified Structure component...2022-10-31T06:46:57ZLauri HimanenAdded update parameter to useEntryPageContext, simplified Structure component logic a bit.Closes #1128Closes #1128Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/887Resolve "GW visualization"2022-10-27T12:42:19ZAlvin Noe LadinesResolve "GW visualization"addresses points 2 and 3 of #980addresses points 2 and 3 of #980Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/908Resolve "Add MSD plot to overview page for MD"2022-10-27T12:32:45ZJoseph RudzinskiResolve "Add MSD plot to overview page for MD"Closes #1144Closes #1144Joseph RudzinskiJoseph Rudzinskihttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/909Making hysprint the main branch for hysprint eln again2022-10-27T10:28:20ZMichael GötteMaking hysprint the main branch for hysprint eln againMichael GötteMichael Göttehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/911Updated craco.2022-10-27T10:06:50ZLauri HimanenUpdated craco.Closes #1147Closes #1147Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/907Resolve "Python defined sections cannot be used as quantity types in yaml sch...2022-10-26T12:59:46ZMarkus ScheidgenResolve "Python defined sections cannot be used as quantity types in yaml schemas"Closes #1140Closes #1140https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/900First version of Solar Cell app config2022-10-25T10:31:42ZJose Marquez PrietoFirst version of Solar Cell app configCloses #1114
I added a Solar cell explore entries views. At the moment it changes the search filters panel and the Results table. It has some formatting added o it and I think this is already valuable. Future steps in fixing pre-define...Closes #1114
I added a Solar cell explore entries views. At the moment it changes the search filters panel and the Results table. It has some formatting added o it and I think this is already valuable. Future steps in fixing pre-defined widgets and plots could be added sequentially.
Maybe @himanel1 could have a quick look and then discuss with @mscheidg if you want to have this merged now or at a later stage.Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/903Changed PublictaionReference base section to retrieve all authors from the DOI.2022-10-24T21:42:34ZJose Marquez PrietoChanged PublictaionReference base section to retrieve all authors from the DOI.Changed PublictionReference base section to retrieve all authors from the DOi instead of only the first one.
Closes #1142Changed PublictionReference base section to retrieve all authors from the DOi instead of only the first one.
Closes #1142Jose Marquez PrietoJose Marquez Prietohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/901Resolve "Search does not work for some metadata fields"2022-10-21T22:30:03ZMarkus ScheidgenResolve "Search does not work for some metadata fields"Closes #1129Closes #1129