LAMMPS GJF-2GJ THERMOSTAT EXAMPLE
GJF-2GJ THERMOSTAT
This directory contains the ingredients to run an NVT simulation using the GJF-2GJ thermostat.
Example:
NP=4 #number of processors
mpirun -np $NP lmp_mpi -in.gjf.vhalf
Required LAMMPS packages: MOLECULE package