nomad-coe / nomad-schema-plugin-simulation-data / 9254335937

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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 sections

* Added testing

Add todo in testing

* Added KSpaceFunctionalities for grouping two common methods to KMesh and KLinePath

* Added methods for KMesh and KLinePath

Changed high_symmetry_path to 2 quantities and fixed tests

* Added functional approach for get_high_symmetry_path_norms

* Added functional programming for KLinePath.resolve_points

* Added testing for KSpaceFunctionalities

* Fix testing for KMesh and KLinePath

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