/lammps_tools

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

Python library for reading and writing lammps data files, currently no functionality beyond this. More advanced utilities/refactoring to come.

Current Limitations:

  • Assumes there is a trailing space after section titles (e.g. "Atoms # full") and after
  • Doesn't store/specify units
  • Discards periodic image information
  • TODO: make sections directly accessible by name