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Reference Functions read_siesta

read_siesta

read_siesta(filepath)

Reads .siesta file and returns ABCMolecule instance.

Parameters:

  • filepath (str) –

    Filename (if in current working directory) or absolute path or os.path.join(os.getcwd(),'filename.xyz').

Returns:

  • ABCMolecule –

    ABCMolecule object with structure data from siesta file.