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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8889 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-10-03 15:07:29 +00:00
parent bd816621d8
commit 463739fea2
2 changed files with 14 additions and 14 deletions
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16
src/OPT/pair_lj_cut_tip4p_long_opt.cpp
View File

@ -16,7 +16,7 @@
------------------------------------------------------------------------- */
#include "math.h"
#include "pair_lj_cut_coul_long_tip4p_opt.h"
#include "pair_lj_cut_tip4p_long_opt.h"
#include "atom.h"
#include "domain.h"
#include "force.h"
@ -37,8 +37,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairLJCutCoulLongTIP4POpt::PairLJCutCoulLongTIP4POpt(LAMMPS *lmp) :
PairLJCutCoulLongTIP4P(lmp)
PairLJCutTIP4PLongOpt::PairLJCutTIP4PLongOpt(LAMMPS *lmp) :
PairLJCutTIP4PLong(lmp)
{
single_enable = 0;
respa_enable = 0;
@ -51,7 +51,7 @@ PairLJCutCoulLongTIP4POpt::PairLJCutCoulLongTIP4POpt(LAMMPS *lmp) :
/* ---------------------------------------------------------------------- */
void PairLJCutCoulLongTIP4POpt::compute(int eflag, int vflag)
void PairLJCutTIP4PLongOpt::compute(int eflag, int vflag)
{
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = vflag_fdotr = 0;
@ -104,7 +104,7 @@ void PairLJCutCoulLongTIP4POpt::compute(int eflag, int vflag)
template < const int CTABLE, const int EVFLAG,
const int EFLAG, const int VFLAG>
void PairLJCutCoulLongTIP4POpt::eval()
void PairLJCutTIP4PLongOpt::eval()
{
int i,j,ii,jj,inum,jnum,itype,jtype,itable,key;
int n,vlist[6];
@ -440,7 +440,7 @@ void PairLJCutCoulLongTIP4POpt::eval()
return it as xM
------------------------------------------------------------------------- */
void PairLJCutCoulLongTIP4POpt::compute_newsite_opt(const double * xO,
void PairLJCutTIP4PLongOpt::compute_newsite_opt(const double * xO,
const double * xH1,
const double * xH2,
double * xM) const
@ -463,9 +463,9 @@ void PairLJCutCoulLongTIP4POpt::compute_newsite_opt(const double * xO,
/* ---------------------------------------------------------------------- */
double PairLJCutCoulLongTIP4POpt::memory_usage()
double PairLJCutTIP4PLongOpt::memory_usage()
{
double bytes = PairLJCutCoulLongTIP4P::memory_usage();
double bytes = PairLJCutTIP4PLong::memory_usage();
return bytes;
}

12
src/OPT/pair_lj_cut_tip4p_long_opt.h
View File

@ -13,21 +13,21 @@
#ifdef PAIR_CLASS
PairStyle(lj/cut/coul/long/tip4p/opt,PairLJCutCoulLongTIP4POpt)
PairStyle(lj/cut/tip4p/long/opt,PairLJCutTIP4PLongOpt)
#else
#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_OPT_H
#define LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_OPT_H
#ifndef LMP_PAIR_LJ_CUT_TIP4P_LONG_OPT_H
#define LMP_PAIR_LJ_CUT_TIP4P_LONG_OPT_H
#include "pair_lj_cut_coul_long_tip4p.h"
namespace LAMMPS_NS {
class PairLJCutCoulLongTIP4POpt : public PairLJCutCoulLongTIP4P {
class PairLJCutTIP4PLongOpt : public PairLJCutTIP4PLong {
public:
PairLJCutCoulLongTIP4POpt(class LAMMPS *);
virtual ~PairLJCutCoulLongTIP4POpt() {};
PairLJCutTIP4PLongOpt(class LAMMPS *);
virtual ~PairLJCutTIP4PLongOpt() {};
virtual void compute(int, int);
virtual double memory_usage();