Skip to content
Snippets Groups Projects
user avatar
sjplimp authored
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
dd2d454f
History
Name Last commit Last update
..
README
pair_smtbq.cpp
pair_smtbq.h
This package implements the Second Moment Tight Binding - QEq (SMTB-Q)
potential for the description of ionocovalent bonds in oxides.

Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot
at LAAS-CNRS in France.

Contact emails:  lammps@u-bourgogne.fr, nsalles@laas.fr

See the doc page for the pair_style smtbq command to get started.

There are potential files for this potential in the potentials dir.

There are example scripts for using this package in
examples/USER/smtbq.