A reader of multi-xyz files has been implemented in the FOX.io.read_xyz module. The .xyz fileformat is designed for storing the atomic symbols and cartesian coordinates of one or more molecules. The herein implemented FOX.io.read_xyz.read_multi_xyz function allows for the fast, and memory-effiecient, retrieval of the various molecular geometries stored in an .xyz file.
An .xyz file, example_xyz_file, can also be directly converted into a FOX.MultiMolecule instance.
>>> from FOX import MultiMolecule, example_xyz
>>> mol = MultiMolecule.from_xyz(example_xyz)
>>> print(type(mol))
<class 'FOX.classes.multi_mol.MultiMolecule'>FOX.io.read_xyz.read_multi_xyz
FOX.MultiMolecule.from_xyz
FOX.example_xyz