From 50ed11cfa92b59d7c76fdd4ec81b97700012c847 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 7 Dec 2007 00:11:14 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1224 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/ASPHERE/pair_gayberne.cpp | 3 +-- src/ASPHERE/pair_resquared.cpp | 3 +-- src/CLASS2/improper_class2.cpp | 3 +-- src/KSPACE/pair_coul_long.cpp | 2 +- src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp | 2 +- src/OPT/pair_lj_charmm_coul_long_opt.h | 2 +- src/fix_msd.cpp | 5 ----- 7 files changed, 6 insertions(+), 14 deletions(-) diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 460e0bf007..109efb246d 100755 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -75,8 +75,7 @@ PairGayBerne::~PairGayBerne() void PairGayBerne::compute(int eflag, int vflag) { int i,j,ii,jj,inum,jnum,itype,jtype; - double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fx,fy,fz; - double one_eng,rsq,r2inv,r6inv,forcelj,factor_lj; + double evdwl,one_eng,rsq,r2inv,r6inv,forcelj,factor_lj; double fforce[3],ttor[3],rtor[3],r12[3]; double a1[3][3],b1[3][3],g1[3][3],a2[3][3],b2[3][3],g2[3][3],temp[3][3]; int *ilist,*jlist,*numneigh,**firstneigh; diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index 10e072f702..bebf8ac47c 100755 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -81,8 +81,7 @@ PairRESquared::~PairRESquared() void PairRESquared::compute(int eflag, int vflag) { int i,j,ii,jj,inum,jnum,itype,jtype; - double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fx,fy,fz; - double one_eng,rsq,r2inv,r6inv,forcelj,factor_lj; + double evdwl,one_eng,rsq,r2inv,r6inv,forcelj,factor_lj; double fforce[3],ttor[3],rtor[3],r12[3]; int *ilist,*jlist,*numneigh,**firstneigh; RE2Vars wi,wj; diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp index ab0215970d..adf04597d6 100644 --- a/src/CLASS2/improper_class2.cpp +++ b/src/CLASS2/improper_class2.cpp @@ -64,8 +64,7 @@ ImproperClass2::~ImproperClass2() void ImproperClass2::compute(int eflag, int vflag) { int i1,i2,i3,i4,i,j,k,n,type; - double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z; - double eimproper,f1[3],f2[3],f3[3],f4[3]; + double eimproper; double delr[3][3],rmag[3],rinvmag[3],rmag2[3]; double theta[3],costheta[3],sintheta[3]; double cossqtheta[3],sinsqtheta[3],invstheta[3]; diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index f49d34ab8a..f1099d1866 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -68,7 +68,7 @@ PairCoulLong::~PairCoulLong() void PairCoulLong::compute(int eflag, int vflag) { int i,j,ii,jj,inum,jnum,itable; - double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair; + double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,ecoul,fpair; double fraction,table; double r,r2inv,forcecoul,factor_coul; double grij,expm2,prefactor,t,erfc; diff --git a/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp b/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp index b9c853e9f7..6b4808f2d1 100644 --- a/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp @@ -77,7 +77,7 @@ void PairLJCutCoulLongTIP4P::compute(int eflag, int vflag) double r,r2inv,r6inv,forcecoul,forcelj,cforce,negforce; double factor_coul,factor_lj; double grij,expm2,prefactor,t,erfc; - double phicoul,philj; + double philj; int iH1,iH2,jH1,jH2; double xiM[3],xjM[3]; double *x1,*x2; diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.h b/src/OPT/pair_lj_charmm_coul_long_opt.h index 1b9f408060..a519c6df48 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.h +++ b/src/OPT/pair_lj_charmm_coul_long_opt.h @@ -62,7 +62,7 @@ void PairLJCharmmCoulLongOpt::eval() int i,j,ii,jj,inum,jnum,itype,jtype,itable; double fraction,table; - double r,r2inv,r6inv,forcecoul,forcelj,fforce,factor_coul,factor_lj; + double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; double grij,expm2,prefactor,t,erfc; double philj,switch1,switch2; diff --git a/src/fix_msd.cpp b/src/fix_msd.cpp index dd2b92a901..eb816de80e 100644 --- a/src/fix_msd.cpp +++ b/src/fix_msd.cpp @@ -66,11 +66,6 @@ FixMSD::FixMSD(LAMMPS *lmp, int narg, char **arg) : int *image = atom->image; int nlocal = atom->nlocal; - double xprd = domain->xprd; - double yprd = domain->yprd; - double zprd = domain->zprd; - int xbox,ybox,zbox; - for (int i = 0; i < nlocal; i++) { if (mask[i] & groupbit) domain->unmap(x[i],image[i],xoriginal[i]); else xoriginal[i][0] = xoriginal[i][1] = xoriginal[i][2] = 0.0;