irradiapy.lammps.commands.compute_modify module

This module contains the ComputeModify class for LAMMPS compute_modify commands.

class irradiapy.lammps.commands.compute_modify.ComputeModify(*, compute_id, kw_vals)[source]

Bases: Command

Class representing a LAMMPS compute_modify command.

Reference

https://docs.lammps.org/compute_modify.html

command()[source]

Generate the LAMMPS command.

Return type:: str

compute_id: str

kw_vals: dict[str, str]