lammps/tools/reax9c8393dd3ademaster
lammps/tools/reax
9c8393dd3ademaster
README.txt
README.txt
=== ReaxFF tools ===
===============================
The programs in this folder can be used to analyze the
output of simulations using the ReaxFF potentials;
mol_fra.c: analyzes the output of fix reax/bonds
Compile it using a C compiler
To test, run it with Cutoff.dic and bonds.reax
Contact: Aidan Thompson
bondConnectCheck.f90: analyzes the output of fix reax/bonds.
Contact: Paul Liangliang Huang <lhuang4@ncsu.edu>
===============================
The programs in this folder can be used to analyze the
output of simulations using the ReaxFF potentials;
mol_fra.c: analyzes the output of fix reax/bonds
Compile it using a C compiler
To test, run it with Cutoff.dic and bonds.reax
Contact: Aidan Thompson
bondConnectCheck.f90: analyzes the output of fix reax/bonds.
Contact: Paul Liangliang Huang <lhuang4@ncsu.edu>
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