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Axel Kohlmeyer bfcab685ce
add reference outputs to example input 		2019-10-15 17:28:35 +02:00
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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

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