Reference XYZMolecule XYZMolecule.to_lammps

XYZMolecule.to_lammps

to_lammps(filename, lattice_matrix)

Write XYZMolecule object to .lammps file.

Parameters:

• filename (str) –

  Name of .lammps file that will be created.

• lattice_matrix (LatticeMatrix) –

  LatticeMatrix object for unitcell box.

Returns:

• .lammps file containing XYZMolecule object. –