irradiapy.lammps.commands.cruntime module

This module contains the CRunTime class.

class irradiapy.lammps.commands.cruntime.CRunTime(*, max_time, max_steps='1000000', run_kw_vals=<factory>)[source]

Bases: object

Class representing a collection of LAMMPS commands to run a simulation up to certain time.

Note

This creates a variable called simtime and a fix called cruntime.

collection: tuple

fix: Fix = None

max_steps: str = '1000000'

max_time: str

run: Run = None

run_kw_vals: dict[str, str]

timer: Timer = None

variable: Variable = None