nomad-coe / nomad-schema-plugin-simulation-data
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Hotfix on rank assignement for physical properties (#82)

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
9352847630 develop Hotfix on rank assignement for physical properties (#82) push web-flow github
98.68
9352297311 develop Add ElectronicEigenvalues and ElectronicBandStructure properties (#63) * Deleted .vscode/settings.json from repo * Changed _check methods for validate_ * Added ElectronicEigenvalues, ElectronicBandStructure and FermiSurface to list of Outp... push web-flow github
98.68
9269679463 develop Add DielectricFunction properties (#72) * Fix variables module and added Frequency Commented out Variables.points.shape to fix when points are refs to a specific NumericalSettings section (like KMesh(Variables) or KLinePath(Variables)) Del... push web-flow github
98.62
9254335937 develop KSpace definition (#71) * Improved numerical_settings schema for KSpace: added `KMesh` and `KLinePath` sub-sections and resolve_reciprocal_lattice_vectors methods * Added KLinePath and KMesh variables with refs to the NumericalSettings section... push web-flow github
98.49
9191394544 develop Merge branch 'develop' of https://github.com/nomad-coe/nomad-schema-plugin-simulation-data into develop push JosePizarro3 github
98.22
9079348379 develop Changed grid_points in variables to points (#68) push web-flow github
98.22
8896824175 develop Fix `HoppingMatrix` with new schema (#61) * Added HoppingMatrix, CrystalFieldSplitting to properties Added WignerSeitz to variables Removed common.py module * Added HoppingMatrix and CrystalFieldSplittings to Outputs list of properties ... push web-flow github
98.22
8877524170 develop Adding unit testing for ModelSystem and AtomsState (#15) * Fix ruff version * Added _check_quantum_numbers in OrbitalsState Fix typing in atoms_state.py module Added TODO in HubbardInteractions Split method resolve_chemical_symbol_and... push web-flow github
98.17
8875734593 develop Documentation Part I - General docu (#24) * Added mkdocs structure * Added contributors to README * Improved index.md and contact.md pages * Added content for general.md with diagrams Added docu on the normalize function * Added Be... push web-flow github
97.1
8875478699 develop Add ElectronicDOS and XASSpectra properties (#54) * Added .pyenv to .gitignore * Change inheritance of OrbitalsState and AtomsState to Entity * Added FermiLevel, ChemicalPotential, ElectronicDensityOfStates, XASSpectra to outputs list De... push web-flow github
97.1
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