lammps_writer.py File Reference

Go to the source code of this file.

Namespaces
namespace	lammps_writer

Functions
	lammps_writer.compute_triclinic_box (ell1, ell2, zlo=-20.0, zhi=20.0)
	lammps_writer.write_lammps_data (filename, positions, atom_types, charges, ell1, ell2, atom_style="atomic", molecule_ids=None, z_padding=20.0, comment="LAMMPS data file")
	lammps_writer.summarize_configuration (positions, atom_types, ell1, ell2)