From 913dca7a2d07bd9cf267e8ab64d8b94903808877 Mon Sep 17 00:00:00 2001
From: sjplimp
The tools/eam_generate directory contains several one-file C programs +that convert an analytic formula into a tabulated embedded atom +method (EAM) setfl potential file. The potentials they +produce are in the potentials directory. +
+The source files and potentials were provided by Gerolf Ziegenhain +(gerolf at ziegenhain.com). +
+The lmp2arc sub-directory contains a tool for converting LAMMPS output diff --git a/doc/Section_tools.txt b/doc/Section_tools.txt index b43545441a..a5ee92c19b 100644 --- a/doc/Section_tools.txt +++ b/doc/Section_tools.txt @@ -44,6 +44,7 @@ own sub-directories with their own Makefiles. "ch2lmp"_#charmm "chain"_#chain "data2xmovie"_#data +"eam generate"_#eam "lmp2arc"_#arc "lmp2cfg"_#cfg "lmp2traj"_#traj @@ -132,6 +133,18 @@ See the top of the data2xmovie.c file for a discussion of the options. :line +eam generate tool :h4,link(eam) + +The tools/eam_generate directory contains several one-file C programs +that convert an analytic formula into a tabulated "embedded atom +method (EAM)"_pair_eam.html setfl potential file. The potentials they +produce are in the potentials directory. + +The source files and potentials were provided by Gerolf Ziegenhain +(gerolf at ziegenhain.com). + +:line + lmp2arc tool :h4,link(arc) The lmp2arc sub-directory contains a tool for converting LAMMPS output