lammps/examples/numdiff/README.md

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LAMMPS FIX NUMDIFF EXAMPLE

Numerical Difference Fix

This directory contains the ingredients to run an NVE simulation using the numerical difference fix and calculate error in forces.

Example:

NP=4 #number of processors
mpirun -np $NP lmp_mpi -in.numdiff

Required LAMMPS packages: MOLECULE package