data Package

data Package

Functions providing access to file data for unit tests and tutorials. Preferred way to import the module is via the import syntax:

import abipy.data as abidata

abipy.data.cif_file(filename: str) → str

Returns the absolute path of the CIF file in tests/data/cifs.

abipy.data.pseudo(filename: str) → Pseudo

Returns a Pseudo object.

abipy.data.pseudos(*filenames: list[str]) → PseudoTable

Returns a PseudoTable constructed from the input filenames located in tests/data/pseudos.

abipy.data.ref_file(basename: str) → str

Returns the absolute path of basename in tests/data directory.

abipy.data.ref_files(*basenames) → list[str]

List with the absolute path of basenames in tests/data directory.

abipy.data.structure_from_ucell(name: str) → Structure

Returns a Structure from the name of entry in the database.