History

Axel Kohlmeyer bfcab685ce add reference outputs to example input		2019-10-15 17:28:35 +02:00
..
README.md	added respa compatability, and simplified examples	2019-07-25 15:23:01 -07:00
argon.lmp	updated fix_langevin and made example	2019-07-24 16:21:48 -07:00
ff-argon.lmp	updated fix_langevin and made example	2019-07-24 16:21:48 -07:00
in.gjf.vfull	Updated gjf examples	2019-10-14 14:39:45 -07:00
in.gjf.vhalf	Updated gjf examples	2019-10-14 14:39:45 -07:00
log.15Oct19.gjf.vfull.g++.1	add reference outputs to example input	2019-10-15 17:28:35 +02:00
log.15Oct19.gjf.vfull.g++.4	add reference outputs to example input	2019-10-15 17:28:35 +02:00
log.15Oct19.gjf.vhalf.g++.1	add reference outputs to example input	2019-10-15 17:28:35 +02:00
log.15Oct19.gjf.vhalf.g++.4	add reference outputs to example input	2019-10-15 17:28:35 +02:00

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