The files in this directory are a user-contributed package for LAMMPS.

The primary people who created these files are Reese Jones (rjones@sandia.gov), Jeremy Templeton (jatemple@sandia.gov) and Jon Zimmerman (jzimmer@sandia.gov). Contact them directly if you have questions.

This package implements a "fix atc" command which can be used in a LAMMPS input script. This fix can be employed to either do concurrent coupling of MD with FE-based physics surrogates or on-the-fly post-processing of atomic information to continuum fields. See the doc page for the fix atc command to get started.

There are example scripts for using this package with LAMMPS in examples/USER/atc.