DUMPWriter

class sknano.io.lammps_dump.DUMPWriter[source] [edit on github][source]

Bases: object

Class for writing LAMMPS dump chemical file format.

Methods

write([fname, outpath, fpath, structure, ...]) Write structure dump to file.

Methods Summary

write([fname, outpath, fpath, structure, ...]) Write structure dump to file.

Methods Documentation

classmethod write(fname=None, outpath=None, fpath=None, structure=None, atoms=None, snapshot=None, trajectory=None, timestep=None, boxstr=None, domain=None, bounding_box=None, allow_triclinic_box=False, attr_value_map=None, **kwargs)[source] [edit on github][source]

Write structure dump to file.

Parameters:
  • fname (str, optional) – Output file name.
  • outpath (str, optional) – Output file path.
  • fpath (str, optional) – Full path (directory path + file name) to output data file.
  • atoms (Atoms) – An Atoms instance.
  • verbose (bool, optional) – verbose output