pyiron_atomistics.vasp.structure

pyiron_atomistics.vasp.structure#

Functions

atoms_from_string(string[, read_velocities, ...])

Routine to convert a string list read from a input/output structure file and convert into Atoms instance

get_poscar_content(structure[, ...])

read_atoms([filename, return_velocities, ...])

Routine to read structural static from a POSCAR type file

write_poscar(structure[, filename, ...])