README.txt
5a53d7be5167lammm-master-deprecated

README.txt
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			=== ReaxFF tools ===
			===============================

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

			mol_fra.c: reads the output of fix reax/bonds
			and identifies fragments
			Compile it using a C compiler
			To test, run it with Cutoff.dic and bonds.reax
			Contact: Aidan Thompson

			bondConnectCheck.f90: reads the output of fix reax/bonds.
			Does not do fragment analysis.
			Compile it using FORTRAN compiler
			To test, run it with bonds.reax
			Contact: Paul Liangliang Huang <lhuang4@ncsu.edu>

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