lammps/src/USER-SMTBQ2993aec312a7efficient_neuronet
lammps/src/USER-SMTBQ
2993aec312a7efficient_neuronet
USER-SMTBQ
USER-SMTBQ
README
README
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.
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