pyiron_atomistics.sphinx.input_writer

Functions

copy_potentials(origins, destinations)	param origins: list of paths to potentials
get_structure_group(positions, cell, elements)	create a SPHInX Group object based on structure
write_spin_constraints([file_name, cwd, ...])	Write a text file containing a list of all spins named spins.in - which is used for the external control scripts.

Classes

Group(*args, **kwargs)

Dictionary-like object to store SPHInX inputs.