This code demonstrates how chimesFF{h,cpp} can be used to obtain the
stress tensor, energy, and per-atom forces for a given system using C++.
See main.cpp for a usage example.

Notes: This script takes as input a standard ChIMES parameter file,
a .xyz file with a, b, and c cell vectors  in the comment line, and
an integer defining how many layers of ghost atoms should be used
(n_layers). Note that nlayers should be large enough to prevent
self-interaction across the periodic boundary. 

Compile with:
        make test-CPP

To test the executable:

./test-CPP <parameter file> <xyz file> <nlayers>

e.g. ./test-CPP ../../../serial_interface/tests/force_fields/published_params.liqC.2b.cubic.txt ../../../serial_interface/tests/configurations/liqC.2.5gcc_6000K.OUTCAR_#000.xyz 2

Note: xyz file must be orthorhombic and must provide lattice vectors in the comment line, e.g. lx 0.0 0.0 0.0 ly 0.0 0.0 0.0 lz
