"""This module contains the ThermoModify class for LAMMPS thermo_modify commands."""
from dataclasses import dataclass
from irradiapy.lammps.commands.command import Command
[docs]
@dataclass(kw_only=True)
class ThermoModify(Command):
"""Class representing a LAMMPS thermo_modify command.
Reference
---------
https://docs.lammps.org/thermo_modify.html
"""
kw_vals: dict[str, str]
def __post_init__(self) -> None:
self.kw_vals = {str(key): str(value) for key, value in self.kw_vals.items()}
[docs]
def command(self) -> str:
"""Generate the LAMMPS command."""
kw_vals_str = " ".join(f"{key} {value}" for key, value in self.kw_vals.items())
return f"thermo_modify {kw_vals_str}"