nomad-FAIR merge requestshttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests2022-11-10T12:33:21Zhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/936> Fixed regex fermi_level in FHIaims2022-11-10T12:33:21ZJose Pizarro> Fixed regex fermi_level in FHIaimsCloses #939Closes #939https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/934Fixes in eqe parser2022-11-17T14:35:08ZJose Marquez PrietoFixes in eqe parserIncludes some fixes in the EQE parsers:
- It does not allow to return of an Urbach energy of it is negative or larger than 0.5 eV.
- The EQE LN base class logs the error of the fit of the Urbach energy.Includes some fixes in the EQE parsers:
- It does not allow to return of an Urbach energy of it is negative or larger than 0.5 eV.
- The EQE LN base class logs the error of the fit of the Urbach energy.https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/933Overview reference card2022-11-14T14:20:08ZTheodore ChangOverview reference cardTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/932Add missing information2022-11-17T13:27:28ZTheodore ChangAdd missing informationClose #1168Close #1168Theodore ChangTheodore Changhttps://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/930Improvement definition id generation2022-11-08T12:44:33ZTheodore ChangImprovement definition id generationTheodore ChangTheodore Changhttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/929Added plot actions2022-11-14T07:46:20ZMohammad NakhaeeAdded plot actionsAdded plot actions together with widget actions
Related to #961Added plot actions together with widget actions
Related to #961Mohammad NakhaeeMohammad Nakhaeehttps://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/927Resolve "ELN: Overwriting exsiting archives"2022-11-10T09:54:42ZDavid SikterResolve "ELN: Overwriting exsiting archives"Closes #1069. The button for creating new ELN archives does not allow the creation if a file by the same name already exists. Also fixed proper error messages when moving or copying files cannot be carried out because the target already ...Closes #1069. The button for creating new ELN archives does not allow the creation if a file by the same name already exists. Also fixed proper error messages when moving or copying files cannot be carried out because the target already exists. Also extended the timeout for two long-running gui tests that often fail the CI.David SikterDavid Sikterhttps://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/923Updated materia submodule.2022-11-03T13:44:22ZLauri HimanenUpdated materia submodule.Closes #1163Closes #1163https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/merge_requests/922Enable metainfo version hashes in the GUI2022-11-17T20:28:34ZDavid SikterEnable metainfo version hashes in the GUICloses #1135. Enables the GUI to handle schema urls that have version hashes in them ("frozen schemas"). Frozen schemas are fetched using a special api endpoint, which fetches an entire frozen version of a package containing the versionH...Closes #1135. Enables the GUI to handle schema urls that have version hashes in them ("frozen schemas"). Frozen schemas are fetched using a special api endpoint, which fetches an entire frozen version of a package containing the versionHash requested. During parsing, all loaded frozen definitions are stored in a cache, indexed by the version hash, which is used when resolving references. For now, this cache just accumulates definitions, and is never cleared (as the frozen schemas should be static, the only reason we might want to clear the cache is if we want to save memory, but the schemas should hopefully not take up much memory). The reason for not clearing the cache is that we want to keep the current python schema hashes in the cache.
The merge has no real effect unless the version hash functionality is enabled in `config.py`.David SikterDavid Sikterhttps://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/920Develop hubbard correction2022-11-07T17:33:12ZNathan DaelmanDevelop hubbard correctionAddition of DFT+U metadata (called `HubbardModel`) and parsing for VASP and FHI-aims.
On the GUI side, is `U_effective` shown in the DFT search menu, while `U` and `J` are just indexed in elasticsearch.
These features were first discusse...Addition of DFT+U metadata (called `HubbardModel`) and parsing for VASP and FHI-aims.
On the GUI side, is `U_effective` shown in the DFT search menu, while `U` and `J` are just indexed in elasticsearch.
These features were first discussed in https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/884Nathan DaelmanNathan Daelmanhttps://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/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/917Resolve "Extended topology tests"2022-11-14T22:52:57ZThea DenellResolve "Extended topology tests"Closes #1077Closes #1077Lauri HimanenLauri Himanenhttps://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/915Resolve "tabular parsing from multiple excel sheets"2022-11-11T14:28:08ZAmir GolparvarResolve "tabular parsing from multiple excel sheets"Closes #1138Closes #1138Amir GolparvarAmir Golparvarhttps://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 Chang