lammps/examples/gjf/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
Updated examples/gjf/README.md 2019-07-25 07:30:02 +08:00			`# LAMMPS GJF-2GJ THERMOSTAT EXAMPLE`
Tally works and example readmes addes 2019-07-25 07:05:25 +08:00
			`## GJF-2GJ THERMOSTAT`

			`This directory contains the ingredients to run an NVT simulation using the GJF-2GJ thermostat.`

			`Example:`
			```
			`NP=4 #number of processors`
added respa compatability, and simplified examples 2019-07-26 06:23:01 +08:00			`mpirun -np $NP lmp_mpi -in.gjf.vhalf`
Tally works and example readmes addes 2019-07-25 07:05:25 +08:00			```

			`## Required LAMMPS packages: MOLECULE package`