nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2023-05-23T17:14:09Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1283Add native tiers2023-05-23T17:14:09ZNathan DaelmanAdd native tiersAdd the `native_tier` quantity to `run` and `results` as a code-specific, catch-all term denoting the precision.Add the `native_tier` quantity to `run` and `results` as a code-specific, catch-all term denoting the precision.Nathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1282Resolve "Type mismatch in method normalization"2023-05-15T22:50:29ZJose PizarroResolve "Type mismatch in method normalization"Jose PizarroJose Pizarrohttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1281Using config for the NORTH Tools2023-05-17T13:17:45ZAdam FeketeUsing config for the NORTH ToolsCloses #1360Closes #1360Adam FeketeAdam Feketehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1280Processing fixes2023-05-15T02:09:17ZAlvin Noe LadinesProcessing fixesAddress reprocessing errors #1472 for lammps and gaussian parsers .Address reprocessing errors #1472 for lammps and gaussian parsers .Alvin Noe LadinesAlvin Noe Ladineshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1279Track parsers from their main branches2023-05-14T11:44:28ZNathan DaelmanTrack parsers from their main branchesNathan DaelmanNathan Daelmanhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1278Correct usage2023-05-15T00:18:01ZTheodore ChangCorrect usageTheodore ChangTheodore Changhttps://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/1271Draft: Updates north submodule2023-08-11T09:25:52ZFlorian DobenerDraft: Updates north submodulehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1270Draft: Resolve "Circular references in ELN lead to infinite processing"2023-08-16T09:18:40ZMohammad NakhaeeDraft: Resolve "Circular references in ELN lead to infinite processing"Closes #1381Closes #1381Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/1269Draft: Renaming nexusutils to pynxtools and updating of north examples2023-12-21T08:51:34ZFlorian DobenerDraft: Renaming nexusutils to pynxtools and updating of north examplesAdded missing refactoring of names related to the previously named tool nexusutils/nomad-parser-nexus which is now called pynxtools and hosted on FAIRmat-NFDIAdded missing refactoring of names related to the previously named tool nexusutils/nomad-parser-nexus which is now called pynxtools and hosted on FAIRmat-NFDIhttps://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 Daelman