nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2024-02-27T12:49:53Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1277Resolve "Rewrite msgpack reader/writer"2024-02-27T12:49:53ZTheodore ChangResolve "Rewrite msgpack reader/writer"Closes #1484Closes #1484Theodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1276Resolve "NORTH dockerspawner is not creating jupyterhub container"2023-05-12T15:46:04ZMarkus ScheidgenResolve "NORTH dockerspawner is not creating jupyterhub container"Closes #1482Closes #1482https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1275Resolve "Matid processing issues"2023-05-12T12:14:23ZLauri HimanenResolve "Matid processing issues"Closes #1476Closes #1476Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1274Resolve "Remove the schemas now located in plugins"2023-05-19T07:16:01ZAndrea AlbinoResolve "Remove the schemas now located in plugins"Closes #1481Closes #1481Andrea AlbinoAndrea Albinohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1273Resolve "Issue with DOS normalization factor errors"2023-05-12T10:04:01ZJose PizarroResolve "Issue with DOS normalization factor errors"Closes #1480Closes #1480Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1272Going up from folder DMFT2023-05-11T10:03:32ZJose PizarroGoing up from folder DMFTMinor change updating the ref to electronic parsers for w2dynamics after talking with developer.
- Going up instead of down in the folder directory scanning for Wannier90 files in w2dynamics parser
Closes #1445Minor change updating the ref to electronic parsers for w2dynamics after talking with developer.
- Going up instead of down in the folder directory scanning for Wannier90 files in w2dynamics parser
Closes #1445Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1268Changed documentation homepage.2023-06-29T15:48:56ZMarkus ScheidgenChanged documentation homepage.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1267Wrapped formula creation in try/except in order to not completely halt parsin...2023-05-09T11:03:33ZLauri HimanenWrapped formula creation in try/except in order to not completely halt parsing...Wrapped formula creation in try/except in order to not completely halt parsing when elements are not found.
Closes #1473Wrapped formula creation in try/except in order to not completely halt parsing when elements are not found.
Closes #1473Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1266Improved searchability of systems2023-05-09T07:49:06ZLauri HimanenImproved searchability of systemsAdded atomic_fraction, mass_fraction to topologies, improved system_relation, exposed more topology quantities for search.
Closes #1474Added atomic_fraction, mass_fraction to topologies, improved system_relation, exposed more topology quantities for search.
Closes #1474Lauri HimanenLauri Himanenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1265Fix cp2k, abinit and phonopy parsers2023-05-09T07:36:48ZAlvin Noe LadinesFix cp2k, abinit and phonopy parsersFix various reprocessing issues.Fix various reprocessing issues.Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1264Restructure metainfo for clearer semantic connection between `BasisSet` and...2023-05-14T10:34:45ZNathan DaelmanRestructure metainfo for clearer semantic connection between `BasisSet` and...Restructure metainfo for clearer semantic connection between `BasisSet` and `AtomParameters` + TODO: fix wrongfulmapping of `muffin-tin core` and `local orbital`
Closes #1449Restructure metainfo for clearer semantic connection between `BasisSet` and `AtomParameters` + TODO: fix wrongfulmapping of `muffin-tin core` and `local orbital`
Closes #1449Nathan DaelmanNathan Daelmanhttps://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/1262Removed invalid structural_type option.2023-05-08T07:24:19ZLauri HimanenRemoved invalid structural_type option.Closes #1468Closes #1468https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1261Resolve "Replace workflow with workflow2"2023-05-30T12:38:17ZAlvin Noe LadinesResolve "Replace workflow with workflow2"Closes #1419
Closes #1432Closes #1419
Closes #1432Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1260Add pseudopotential section2023-05-10T14:07:42ZNathan DaelmanAdd pseudopotential sectionExtend the description of pseudopotentials by adding a dedicated subsection.
Preserve `pseudopotential_name` for parser compatibility.
Populate new section from the VASP parser.Extend the description of pseudopotentials by adding a dedicated subsection.
Preserve `pseudopotential_name` for parser compatibility.
Populate new section from the VASP parser.Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1259Resolve "Dimensionality refactor"2023-05-08T08:26:29ZLauri HimanenResolve "Dimensionality refactor"Closes #1466Closes #1466Lauri HimanenLauri Himanenhttps://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/1256Lowered the worker replicas to free resources for reprocessing.2023-05-04T16:48:50ZMarkus ScheidgenLowered the worker replicas to free resources for reprocessing.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1254Resolve "Duplicated items in archive browser"2023-05-10T13:02:11ZMohammad NakhaeeResolve "Duplicated items in archive browser"Closes #1093Closes #1093Mohammad NakhaeeMohammad Nakhaee