Name		Name	Last commit message	Last commit date
parent directory ..
README.md		README.md
argon.lmp		argon.lmp
ff-argon.lmp		ff-argon.lmp
in.gjf.vfull		in.gjf.vfull
in.gjf.vhalf		in.gjf.vhalf
log.15Oct19.gjf.vfull.g++.1		log.15Oct19.gjf.vfull.g++.1
log.15Oct19.gjf.vfull.g++.4		log.15Oct19.gjf.vfull.g++.4
log.15Oct19.gjf.vhalf.g++.1		log.15Oct19.gjf.vhalf.g++.1
log.15Oct19.gjf.vhalf.g++.4		log.15Oct19.gjf.vhalf.g++.4

README.md

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