nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2021-12-02T07:27:08Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/471Parser fix2021-12-02T07:27:08ZAlvin Noe LadinesParser fixImplemented resolution of hybrid and metagga functionals in vasp parser Should solve #675Implemented resolution of hybrid and metagga functionals in vasp parser Should solve #675Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/309Parser fixes2021-04-13T11:09:19ZAlvin Noe LadinesParser fixesIntroduced fixes for bigdft, lammps, gromacs.Introduced fixes for bigdft, lammps, gromacs.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/247Parser fixes2021-01-22T10:35:23ZMarkus ScheidgenParser fixeshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/498Parser fixes issue #7012021-12-21T07:19:20ZAlvin Noe LadinesParser fixes issue #701Various parser fixes.Various parser fixes.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/250Parser fixes new2021-01-27T07:15:34ZAlvin Noe LadinesParser fixes newImplemented various fixes from issue #484Implemented various fixes from issue #484Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/656Parser fixes v1.0.82022-05-06T07:49:32ZAlvin Noe LadinesParser fixes v1.0.8Rename mp workflow parser to atomate.Rename mp workflow parser to atomate.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/27Parser integration2019-02-06T14:19:59ZDaniel SpeckhardParser integrationFixed some regex matching issues so the parsers can now find the right main files to parse.Fixed some regex matching issues so the parsers can now find the right main files to parse.Daniel SpeckhardDaniel Speckhardhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/25Parser integration2019-01-31T12:01:48ZMarkus ScheidgenParser integrationrepo/archive consolidationMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/45Parser integration Merge2019-07-01T12:11:38ZDaniel SpeckhardParser integration MergeMerging the parser integration branch with the master branchMerging the parser integration branch with the master branchMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/171Parser metadata2020-09-14T09:09:17ZMarkus ScheidgenParser metadataAdded a new code list and dialog with detailed upload information to the GUI.Added a new code list and dialog with detailed upload information to the GUI.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/280Parser move2021-03-12T16:45:33ZMarkus ScheidgenParser movehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/631Parsers2022-04-08T16:30:06ZAlvin Noe LadinesParsersnew parsers, minor fixes and minor metainfo changesnew parsers, minor fixes and minor metainfo changesMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/568Parsers2022-03-15T12:32:30ZAlvin Noe LadinesParsers1. Implemented new full parsers: gamess, tinker, qbox, onetep, dftbplus, fleur, siesta
2. Group parsers into: electronic, atomistic, workflow
3. Move parser initialization to nomad
4. Move gw results to calculation
5. Various minor fixes1. Implemented new full parsers: gamess, tinker, qbox, onetep, dftbplus, fleur, siesta
2. Group parsers into: electronic, atomistic, workflow
3. Move parser initialization to nomad
4. Move gw results to calculation
5. Various minor fixesMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/517Parsers2022-01-11T14:15:22ZAlvin Noe LadinesParsersFixes in gromacs parsers and task normalization, implemented comparison of openkim data to nomadFixes in gromacs parsers and task normalization, implemented comparison of openkim data to nomadMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/475Parsers2021-12-09T14:32:39ZAlvin Noe LadinesParsersAdded yambo and psi4 parsers. Implemented various parser fixes.Added yambo and psi4 parsers. Implemented various parser fixes.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/332Parsers2021-05-04T11:14:38ZAlvin Noe LadinesParsersNew wien2k and nwchem parsers. Fixed pytests for all parsers.New wien2k and nwchem parsers. Fixed pytests for all parsers.Markus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/10Parsers2018-10-01T14:40:57ZMarkus ScheidgenParsershttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/245Parsers on github2021-01-20T14:20:32ZMarkus ScheidgenParsers on githubhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/297Parser tests2021-04-06T07:03:50ZAlvin Noe LadinesParser testsAdded lammpsparser tests and implemented new cp2k parser and testsAdded lammpsparser tests and implemented new cp2k parser and testsMarkus ScheidgenMarkus Scheidgenhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/289Parser tests2021-03-23T12:07:41ZAlvin Noe LadinesParser testsImplementation of tests for vasp, exciting, fhiaims, gaussian, octopus, quantumespresso, orca, gpaw, abinitImplementation of tests for vasp, exciting, fhiaims, gaussian, octopus, quantumespresso, orca, gpaw, abinitMarkus ScheidgenMarkus Scheidgen