from_poscar_str#

static Structure.from_poscar_str(
poscar_str: str,
mode: str = 'atoms',
) Structure#

Construct a Structure from a VASP POSCAR string

Parameters:
  • poscar_str (str) – The POSCAR as a string

  • mode (str = "atoms") – Read POSCAR and construct a Structure with atom or molecule types, coordinates, and if present, “selectivedynamics” properties. Accepts one of “atoms”, “molecules”, or “both”.

Returns:

structure – A Structure, with lattice, atom_type, and atom coordinates, and if present, “selectivedynamics” atom properties.

Return type:

Structure