Loading src/USER-SMTBQ/README +4 −2 Original line number Diff line number Diff line Loading @@ -2,9 +2,11 @@ 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. at ICB, Universite de Bourgogne and ICMMO, Universite Paris-Sud. Contact emails: lammps@u-bourgogne.fr, nsalles@laas.fr Contact emails: lammps@u-bourgogne.fr, nsalles33@gmail.com This package is occasionally maintained. See the doc page for the pair_style smtbq command to get started. Loading Loading
src/USER-SMTBQ/README +4 −2 Original line number Diff line number Diff line Loading @@ -2,9 +2,11 @@ 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. at ICB, Universite de Bourgogne and ICMMO, Universite Paris-Sud. Contact emails: lammps@u-bourgogne.fr, nsalles@laas.fr Contact emails: lammps@u-bourgogne.fr, nsalles33@gmail.com This package is occasionally maintained. See the doc page for the pair_style smtbq command to get started. Loading
