diff --git a/tools/reax/README.txt b/tools/reax/README.txt index 9f3499ca2..83ae92a2d 100644 --- a/tools/reax/README.txt +++ b/tools/reax/README.txt @@ -1,11 +1,13 @@ === 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. +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