LAMMPS GJF-2GJ THERMOSTAT EXAMPLE W/ PYTHON
GJF-2GJ THERMOSTAT
This directory contains a python script to run NVT simulations using the GJF-2GJ thermostat. The script will vary the timestep and write thermodynamic output to screen. This script has True/False options to change how you would like to dump/write your output.
Example:
NP=4 #number of processors
mpirun -np $NP python gjf.py