structopt.io

structopt.io.parameters()

Contains functionality for reading, writing, and parsing StrcutOpt parameters.

structopt.io.logger_utils()

Contains functionality for creating and using loggers.

structopt.io.read_xyz(filename, index=None, format=None, **kwargs)

Reads an xyz file into an ASE Atoms object and returns it.

structopt.io.write_xyz(fileobj, atoms, comment='', append=False)

Writes xyz files from an Individual object. Adapted from ase.io.xyz.