forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8870 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -13,7 +13,7 @@
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------------------------------------------------------------------------- */
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#include "math.h"
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#include "pair_buck_coul_omp.h"
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#include "pair_buck_disp_coul_long_omp.h"
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#include "atom.h"
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#include "comm.h"
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#include "math_vector.h"
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@ -34,8 +34,8 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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PairBuckCoulOMP::PairBuckCoulOMP(LAMMPS *lmp) :
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PairBuckCoul(lmp), ThrOMP(lmp, THR_PAIR)
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PairBuckDispCoulLongOMP::PairBuckDispCoulLongOMP(LAMMPS *lmp) :
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PairBuckDispCoulLong(lmp), ThrOMP(lmp, THR_PAIR)
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{
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suffix_flag |= Suffix::OMP;
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respa_enable = 0;
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@ -44,7 +44,7 @@ PairBuckCoulOMP::PairBuckCoulOMP(LAMMPS *lmp) :
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/* ---------------------------------------------------------------------- */
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void PairBuckCoulOMP::compute(int eflag, int vflag)
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void PairBuckDispCoulLongOMP::compute(int eflag, int vflag)
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{
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if (eflag || vflag) {
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ev_setup(eflag,vflag);
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@ -84,7 +84,7 @@ void PairBuckCoulOMP::compute(int eflag, int vflag)
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/* ---------------------------------------------------------------------- */
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template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
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void PairBuckCoulOMP::eval(int iifrom, int iito, ThrData * const thr)
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void PairBuckDispCoulLongOMP::eval(int iifrom, int iito, ThrData * const thr)
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{
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double evdwl,ecoul,fpair;
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evdwl = ecoul = 0.0;
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@ -220,10 +220,10 @@ void PairBuckCoulOMP::eval(int iifrom, int iito, ThrData * const thr)
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/* ---------------------------------------------------------------------- */
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double PairBuckCoulOMP::memory_usage()
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double PairBuckDispCoulLongOMP::memory_usage()
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{
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double bytes = memory_usage_thr();
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bytes += PairBuckCoul::memory_usage();
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bytes += PairBuckDispCoulLong::memory_usage();
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return bytes;
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}
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@ -17,22 +17,22 @@
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#ifdef PAIR_CLASS
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PairStyle(buck/coul/omp,PairBuckCoulOMP)
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PairStyle(buck/disp/coul/long/omp,PairBuckDispCoulLongOMP)
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#else
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#ifndef LMP_PAIR_BUCK_COUL_OMP_H
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#define LMP_PAIR_BUCK_COUL_OMP_H
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#ifndef LMP_PAIR_BUCK_DISP_COUL_LONG_OMP_H
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#define LMP_PAIR_BUCK_DISP_COUL_LONG_OMP_H
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#include "pair_buck_coul.h"
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#include "pair_buck_disp_coul_long.h"
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#include "thr_omp.h"
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namespace LAMMPS_NS {
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class PairBuckCoulOMP : public PairBuckCoul, public ThrOMP {
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class PairBuckDispCoulLongOMP : public PairBuckDispCoulLong, public ThrOMP {
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public:
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PairBuckCoulOMP(class LAMMPS *);
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PairBuckDispCoulLongOMP(class LAMMPS *);
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virtual void compute(int, int);
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virtual double memory_usage();
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@ -13,7 +13,7 @@
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------------------------------------------------------------------------- */
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#include "math.h"
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#include "pair_lj_coul_omp.h"
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#include "pair_lj_disp_coul_long_omp.h"
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#include "atom.h"
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#include "comm.h"
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#include "math_vector.h"
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/* ---------------------------------------------------------------------- */
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PairLJCoulOMP::PairLJCoulOMP(LAMMPS *lmp) :
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PairLJCoul(lmp), ThrOMP(lmp, THR_PAIR)
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PairLJDispCoulLongOMP::PairLJDispCoulLongOMP(LAMMPS *lmp) :
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PairLJDispCoulLong(lmp), ThrOMP(lmp, THR_PAIR)
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{
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suffix_flag |= Suffix::OMP;
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respa_enable = 0;
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@ -44,7 +44,7 @@ PairLJCoulOMP::PairLJCoulOMP(LAMMPS *lmp) :
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/* ---------------------------------------------------------------------- */
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void PairLJCoulOMP::compute(int eflag, int vflag)
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void PairLJDispCoulLongOMP::compute(int eflag, int vflag)
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{
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if (eflag || vflag) {
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ev_setup(eflag,vflag);
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@ -84,7 +84,7 @@ void PairLJCoulOMP::compute(int eflag, int vflag)
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/* ---------------------------------------------------------------------- */
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template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
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void PairLJCoulOMP::eval(int iifrom, int iito, ThrData * const thr)
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void PairLJDispCoulLongOMP::eval(int iifrom, int iito, ThrData * const thr)
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{
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double evdwl,ecoul,fpair;
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evdwl = ecoul = 0.0;
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/* ---------------------------------------------------------------------- */
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double PairLJCoulOMP::memory_usage()
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double PairLJDispCoulLongOMP::memory_usage()
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{
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double bytes = memory_usage_thr();
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bytes += PairLJCoul::memory_usage();
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bytes += PairLJDispCoulLong::memory_usage();
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return bytes;
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}
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@ -17,22 +17,22 @@
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#ifdef PAIR_CLASS
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PairStyle(lj/coul/omp,PairLJCoulOMP)
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PairStyle(lj/disp/coul/long/omp,PairLJDispCoulLongOMP)
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#else
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#ifndef LMP_PAIR_LJ_COUL_OMP_H
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#define LMP_PAIR_LJ_COUL_OMP_H
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#ifndef LMP_PAIR_LJ_DISP_COUL_LONG_OMP_H
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#define LMP_PAIR_LJ_DISP_COUL_LONG_OMP_H
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#include "pair_lj_coul.h"
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#include "pair_lj_disp_coul_long.h"
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#include "thr_omp.h"
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namespace LAMMPS_NS {
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class PairLJCoulOMP : public PairLJCoul, public ThrOMP {
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class PairLJDispCoulLongOMP : public PairLJDispCoulLong, public ThrOMP {
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public:
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PairLJCoulOMP(class LAMMPS *);
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PairLJDispCoulLongOMP(class LAMMPS *);
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virtual void compute(int, int);
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virtual double memory_usage();
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