From 463739fea23949a2b916ad16afc38fa0f499006c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 3 Oct 2012 15:07:29 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8889 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/OPT/pair_lj_cut_tip4p_long_opt.cpp | 16 ++++++++-------- src/OPT/pair_lj_cut_tip4p_long_opt.h | 12 ++++++------ 2 files changed, 14 insertions(+), 14 deletions(-) diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp index 99134c287f..8520496423 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.cpp +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.cpp @@ -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; } diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.h b/src/OPT/pair_lj_cut_tip4p_long_opt.h index 7f25334098..cb6b3a242d 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.h +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.h @@ -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();