dead code removal
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@ -108,7 +108,7 @@ void PairPolymorphic::compute(int eflag, int vflag)
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int itype,jtype,ktype;
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int iparam_ii,iparam_jj,iparam_kk,iparam_ij,iparam_ik,iparam_ijk;
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double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;
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double rsq,rsq1,rsq2,r0,r1,r2;
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double rsq,r0,r1,r2;
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double delr1[3],delr2[3],fi[3],fj[3],fk[3];
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double zeta_ij,prefactor,wfac,pfac,gfac,fa,fa_d,bij,bij_d;
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double costheta;
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@ -872,7 +872,8 @@ void PairPolymorphic::grab(FILE *fp, int n, double *list)
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fgets(line,MAXLINE,fp);
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ptr = strtok(line," \t\n\r\f");
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list[i++] = atof(ptr);
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while (ptr = strtok(NULL," \t\n\r\f")) list[i++] = atof(ptr);
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while ((ptr = strtok(NULL," \t\n\r\f")))
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list[i++] = atof(ptr);
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}
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}
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@ -155,7 +155,7 @@ static void getparmindata(const char *potin_file,int nvol[1],double vol0[1],doub
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void potdata::readpot(const char *parmin_file,const char *potin_file,const double vol) {
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FILE *in;
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double x0,x1,dx,dr;
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double x0,x1,dx;
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int nx;
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double r0x,r1x,drx;
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@ -347,7 +347,7 @@ void potdata::readpot(const char *parmin_file,const char *potin_file,const doubl
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nrx = (int) ((r1x-r0x)/drx + 1.1); /* Really: 1+round((r1-r0)/dr) */
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if(ii == 0) {
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r0 = r0x; r1 = r1x; dr = drx; nr = nrx;
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r0 = r0x; r1 = r1x; nr = nrx;
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vpairtab = new double[nx*nr];
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} else {
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/* Check that {r0,r1,dr,nr}x == {r0,r1,dr,nr} */
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@ -372,9 +372,6 @@ void potdata::readpot(const char *parmin_file,const char *potin_file,const doubl
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double r0rws = r0rwstab[i];
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double r00 = r0rws*rws,rp = 1.8*rws;
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if(bscreen == 0) r0rws = 10.0;
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double alp = al,alm = al;
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if(mode == 2 || mode == 4 || mode == 6) alm = 125.0;
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al = alp;
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double r = r0 + j*(r1-r0)/(nr-1);
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@ -389,17 +386,12 @@ void potdata::readpot(const char *parmin_file,const char *potin_file,const doubl
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if(bscreen == 1 && rrws >= r0rws) {
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double arg = rrws/r0rwstab[i];
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double arg1 = arg - 1.0;
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double arg12 = arg1*arg1;
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double f,dp;
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double f;
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if(mode <= 2) {
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f = fgauss(arg,al);
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dp=2.*al*arg*arg1;
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}
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else {
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f = hgauss(arg,al);
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double arg13 = arg1*arg12;
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dp=2.0*al*al*arg*arg13/(1.+al*arg12);
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}
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fscr = f*f;
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}
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@ -65,7 +65,6 @@ void ImproperDistance::compute(int eflag, int vflag)
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// double ss1,ss2,ss3,r1,r2,r3,c0,c1,c2,s1,s2;
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// double s12,c,s,domega,a,a11,a22,a33,a12,a13,a23;
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double domega,a;
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double sx2,sy2,sz2;
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eimproper = 0.0;
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if (eflag || vflag) ev_setup(eflag,vflag);
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