lammps/tools/reax
Axel Kohlmeyer e86b933862 remove meam and reax from documentation 2018-12-10 14:38:25 -05:00
..
Cutoff.dic Added Cutoff.dic and bonds.reax 2010-12-09 20:16:31 +00:00
README.txt remove meam and reax from documentation 2018-12-10 14:38:25 -05:00
reaxc_bond.pl Added bond info script for pair reax/c 2011-05-12 21:43:56 +00:00

README.txt

=== ReaxFF tools ===
===============================

The programs in this folder can be used to analyze the
output of simulations using the ReaxFF potentials;

reaxc_bond.pl: reads the bonding information in the
                .trj file produced by pair_style reax/c and
                outputs molecule counts for each frame.