I/O package

Functions for reading and writing atomic configurations

dislocation_tools.io.lammps_formats

Handles file formats understood by Lammps

dislocation_tools.io.lammps_formats Module

Handles file formats understood by Lammps

Functions

apply_pbc(dof, periodic_boundary, …)

Apply periodic boundary conditions.

calc_image_distances(img_chunk, …)

Calculate the lengths for wrapping or unwrapping atomic coordinates across periodic boundaries.

read_data(infile, boundary_style)

Read a Lammps data file.

read_dump(path_to_dump_file)

Read a Lammps dump file.

write_data(outfile, boundary_style, infile, …)

Write a Lammps data file.

write_dump(outfile, header, atomdata)

Write a Lammps dump file.