65 lines
2.0 KiB
C++
65 lines
2.0 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing authors:
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James Fischer, High Performance Technologies, Inc.
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Charles Cornwell, High Performance Technologies, Inc.
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David Richie, Stone Ridge Technology
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Vincent Natol, Stone Ridge Technology
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------------------------------------------------------------------------- */
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#include "pair_eam_opt.h"
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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PairEAMOpt::PairEAMOpt(LAMMPS *lmp) : PairEAM(lmp) {}
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/* ---------------------------------------------------------------------- */
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void PairEAMOpt::compute(int eflag, int vflag)
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{
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if (eflag) {
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if (force->newton_pair) {
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switch (vflag) {
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case 0: return eval<1,0,1>();
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case 1: return eval<1,1,1>();
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case 2: return eval<1,2,1>();
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}
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} else {
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switch (vflag) {
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case 0: return eval<1,0,0>();
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case 1: return eval<1,1,0>();
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case 2: return eval<1,2,0>();
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}
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}
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} else {
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if (force->newton_pair) {
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switch (vflag) {
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case 0: return eval<0,0,1>();
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case 1: return eval<0,1,1>();
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case 2: return eval<0,2,1>();
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}
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} else {
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switch (vflag) {
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case 0: return eval<0,0,0>();
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case 1: return eval<0,1,0>();
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case 2: return eval<0,2,0>();
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}
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}
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}
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}
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