write_data

dislocation_tools.io.lammps_formats.write_data(outfile, boundary_style, infile, coordinates)

Write a Lammps data file.

Parameters

• outfile (str) – output data file

• boundary_style (str) – Lammps boundary style (e.g. ‘s s p’ or ‘p p p’)

• infile (str) – input data file

• coordinates (array-like) – coordinates of the atoms.

Notes

The input data file must be given and is actually re-read before writing, so that scatter_atoms can be used to overwrite a current set of coordinates.