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/1018Resolve "Hotfix: include Projection menu in the GUI"2023-01-02T11:49:12ZJose PizarroResolve "Hotfix: include Projection menu in the GUI"Closes #1266Closes #1266Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1758Fix magres parser2024-03-27T15:02:02ZJose PizarroFix magres parserHotfix from devs feedbackHotfix from devs feedbackJose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1659Fixed CP2K2024-02-06T12:30:54ZJose PizarroFixed CP2KCloses #1879Closes #1879Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1570Resolve "Problem in published Dataset related to tabulartree"2023-12-13T09:31:55ZAmir GolparvarResolve "Problem in published Dataset related to tabulartree"Closes #1791Closes #1791Amir GolparvarAmir Golparvarhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1556Quickfix TB merge2023-11-20T14:51:48ZJose PizarroQuickfix TB mergeQuick fix on the DMFT workflows in the electronic parsers.Quick fix on the DMFT workflows in the electronic parsers.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1539Improvement excited state workflows MethodNormalizer2023-11-07T10:28:48ZJose PizarroImprovement excited state workflows MethodNormalizerIn a recent merge for the `SimulationWorkflow.normalize()`, a different ordering was introduced for writting the inputs. I then adapted the MethodNormalizer part handling GW, BSE, XS workflows to handle these potential issues, such that ...In a recent merge for the `SimulationWorkflow.normalize()`, a different ordering was introduced for writting the inputs. I then adapted the MethodNormalizer part handling GW, BSE, XS workflows to handle these potential issues, such that now it scans the inputs and searches for one having the keyword `'method'` in the name.Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1533Resolve "Cannot plot a Datetime Quantity"2023-11-17T13:47:56ZMohammad NakhaeeResolve "Cannot plot a Datetime Quantity"Closes #1754Closes #1754Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1476Removed service worker.2023-09-27T12:17:02ZLauri HimanenRemoved service worker.Closes #1698Closes #1698Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1464Minor fix solid dmft2023-09-26T15:03:19ZJose PizarroMinor fix solid dmftMinor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Minor metainfo adjustements to allocate for better parsing of solid_dmft and other DMFT parsers: https://github.com/nomad-coe/electronic-parsers/pull/164Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1446Resolve "Reviewer not counting for max number of uploads"2023-08-23T12:32:39ZMarkus ScheidgenResolve "Reviewer not counting for max number of uploads"Closes #1651Closes #1651https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1415Refactored periodic table using SVG.2023-07-20T06:19:34ZLauri HimanenRefactored periodic table using SVG.Closes #1252Closes #1252Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1308Resolve "OverviewView.spec.js failed occasionally"2023-05-24T10:21:34ZMohammad NakhaeeResolve "OverviewView.spec.js failed occasionally"Closes #1478Closes #1478Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1290Resolve "Issues in exciting and FHI-aims"2023-05-17T10:53:15ZJose PizarroResolve "Issues in exciting and FHI-aims"Closes #1495Closes #1495Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1287Precision sections being generated for workflow entries2023-05-19T09:41:33ZJose PizarroPrecision sections being generated for workflow entriesCloses #1489Closes #1489Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1263Issue with workflow2 name2023-05-08T14:13:25ZJose PizarroIssue with workflow2 nameCloses #1475Closes #1475Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1258Resolve "Issue in system normalizer for reciprocal vectors"2023-05-05T14:48:44ZJose PizarroResolve "Issue in system normalizer for reciprocal vectors"Closes #1470Closes #1470Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1257Resolve "Issue in method normalizer for CoreHole"2023-05-05T09:10:27ZJose PizarroResolve "Issue in method normalizer for CoreHole"Closes #1469Closes #1469Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1252Include new BandGap in GW2023-05-05T08:22:23ZJose PizarroInclude new BandGap in GWPlease, @himanel1 @ladinesa @ndaelman (@jrudz , you can also check this out). This is part of the new `BandGap` definition @ndaelman did, and fixing the issue with the GW workflow.
This is mainly a fix, but I also took the change to reo...Please, @himanel1 @ladinesa @ndaelman (@jrudz , you can also check this out). This is part of the new `BandGap` definition @ndaelman did, and fixing the issue with the GW workflow.
This is mainly a fix, but I also took the change to reorganize a bit the `ResultsNormalizer` into abstraction (similar to `MethodNormalizer`). Can you please check this (**if possible to be merged before the reprocess**, i.e., by the end of the week) and give feedback? We can later extend changes to other `results.properties` sections.
There is a related minor PR in github: https://github.com/nomad-coe/electronic-parsers/pull/93
Closes #1459Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1061Resolve "Fix issues in the new GUI layout found using production data"2023-01-26T10:08:44ZLauri HimanenResolve "Fix issues in the new GUI layout found using production data"Closes #1304Closes #1304