From f74bb8a6f26bdbb439a8f981cd522edea59a56ad Mon Sep 17 00:00:00 2001
From: sjplimp The python sub-directory contains several Python scripts
-that perform common LAMMPS post-processing tasks, like
+that perform common LAMMPS post-processing tasks, such as:
python tool
The reax sub-directory contains stand-alond codes that can +post-process the output of the fix reax/bonds +command from a LAMMPS simulation using ReaxFF. See +the README.txt file for more info. +
+These tools were written by Aidan Thompson at Sandia. +
+The file restart2data.cpp converts a binary LAMMPS restart file into diff --git a/doc/Section_tools.txt b/doc/Section_tools.txt index c732bb0af0..6801603362 100644 --- a/doc/Section_tools.txt +++ b/doc/Section_tools.txt @@ -59,6 +59,7 @@ own sub-directories with their own Makefiles. "msi2lmp"_#msi "pymol_asphere"_#pymol "python"_#pythontools +"reax"_#reax "restart2data"_#restart "thermo_extract"_#thermo_extract "vim"_#vim @@ -341,7 +342,7 @@ This tool was written by Mike Brown at Sandia. python tool :h4,link(pythontools) The python sub-directory contains several Python scripts -that perform common LAMMPS post-processing tasks, like +that perform common LAMMPS post-processing tasks, such as: extract thermodynamic info from a log file as columns of numbers plot two columns of thermodynamic info from a log file using GnuPlot @@ -354,6 +355,17 @@ README for more info on Pizza.py and how to use these scripts. :line +reax tool :h4,link(reax) + +The reax sub-directory contains stand-alond codes that can +post-process the output of the "fix reax/bonds"_fix_reax_bonds.html +command from a LAMMPS simulation using "ReaxFF"_pair_reax.html. See +the README.txt file for more info. + +These tools were written by Aidan Thompson at Sandia. + +:line + restart2data tool :h4,link(restart) The file restart2data.cpp converts a binary LAMMPS restart file into