nomad-coe / nomad-schema-plugin-simulation-data / 9364509026

Builds Branch Commit Type Ran Committer Via Coverage
9364509026 change_name_repo Changed links to nomad-simulations new named repo push JosePizarro3 github
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9352847630 develop Hotfix on rank assignement for physical properties (#82) push web-flow github
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9352790663 hotfix_rank Fix rank Pull #82 JosePizarro3 github
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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
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9347862591 52-add-electroniceigenvalues-physical-property Implemented np.searchsorted instead of custom binary search in resolve_homo_lumo_eigenvalues Pull #63 JosePizarro3 github
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9347441652 52-add-electroniceigenvalues-physical-property Fix mypy: yes, it is crap sometimes Pull #63 JosePizarro3 github
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9347271889 52-add-electroniceigenvalues-physical-property Added testing for decorator validate_quantity_wrt_value Pull #63 JosePizarro3 github
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9304235957 52-add-electroniceigenvalues-physical-property Changed is_valid and _check methods for validate_ Pull #63 JosePizarro3 github
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9303374541 52-add-electroniceigenvalues-physical-property Added missing spin_channel to ElectronicEigenvalues Pull #63 JosePizarro3 github
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9303001272 52-add-electroniceigenvalues-physical-property Patch over self.rank so that msgpck does not get crazy with numpy.int32 (it needs int types) Pull #63 JosePizarro3 github
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9301905977 11-add-onsite_energy-for-orbitalsstate 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
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9301802216 52-add-electroniceigenvalues-physical-property Fixed testing Pull #63 JosePizarro3 github
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9287286817 52-add-electroniceigenvalues-physical-property Fix testing and schema to be QuantityReference Pull #63 JosePizarro3 github
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9287191259 52-add-electroniceigenvalues-physical-property Added reciprocal_cell, method to resolve it and testing for ElectronicEigenvalues Pull #63 JosePizarro3 github
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9271471880 52-add-electroniceigenvalues-physical-property Fix issue when squashing and deleting generate_electronic_eigenvalues from conftest Fix bulk type in resolve_reciprocal_lattice_vectors Pull #63 JosePizarro3 github
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