diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 553e912064..d293fb1c45 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -1466,12 +1466,12 @@ void PairComb::tri_point(double rsq, int &mr1, int &mr2, rridr = (r-rin)/dr; mr1 = int(rridr)-1; - dd = rridr - float(mr1); + dd = rridr - double(mr1); if (dd > 0.5) mr1 += 1; mr2 = mr1 + 1; mr3 = mr2 + 1; - rr1 = float(mr1)*dr; + rr1 = double(mr1)*dr; rridr = (r - rin - rr1)/dr; rridr2 = rridr * rridr; diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index b657c74c4b..faaa7e48d4 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -1913,18 +1913,16 @@ void PairComb3::coord(Param *param, double r, int i, if (xcntritot > maxxcn[tri_flag-1]) { pcorn = vmaxxcn[tri_flag-1]+(xcntot-maxxcn[tri_flag-1])*dvmaxxcn[tri_flag-1]; dxccij = dxchij = dxcoij = dvmaxxcn[tri_flag-1]; - } - else { + } else { ixmin=int(xcccn+1.0e-12); iymin=int(xchcn+1.0e-12); izmin=int(xcocn+1.0e-12); - if (fabs(float(ixmin)-xcccn)>1.0e-8 || - fabs(float(iymin)-xchcn)>1.0e-8 || - fabs(float(izmin)-xcocn)>1.0e-8) { + if (fabs(double(ixmin)-xcccn)>1.0e-8 || + fabs(double(iymin)-xchcn)>1.0e-8 || + fabs(double(izmin)-xcocn)>1.0e-8) { cntri_int(tri_flag,xcccn,xchcn,xcocn,ixmin,iymin,izmin, pcorn,dxccij,dxchij,dxcoij,param); - } - else { + } else { pcorn = pcn_grid[tri_flag-1][ixmin][iymin][izmin]; dxccij = pcn_gridx[tri_flag-1][ixmin][iymin][izmin]; dxchij = pcn_gridy[tri_flag-1][ixmin][iymin][izmin]; @@ -2544,10 +2542,10 @@ void PairComb3::tri_point(double rsq, int &mr1, int &mr2, rridr = (r-rin)/dr; mr1 = int(rridr) ; - dd = rridr - float(mr1); + dd = rridr - double(mr1); if (dd > 0.5) mr1 += 1; - rr1 = float(mr1)*dr; + rr1 = double(mr1)*dr; rridr = (r - rin - rr1)/dr; rridr2 = rridr * rridr; @@ -2755,9 +2753,9 @@ void PairComb3::rad_calc(double r, Param *parami, Param *paramj, iymin = int(yrad+1.0e-12); izmin = int(zcon+1.0e-12); radindx=parami->rad_flag-1; - if (fabs(float(ixmin)-xrad)>1.0e-8 || - fabs(float(iymin)-yrad)>1.0e-8 || - fabs(float(izmin)-zcon)>1.0e-8) { + if (fabs(double(ixmin)-xrad)>1.0e-8 || + fabs(double(iymin)-yrad)>1.0e-8 || + fabs(double(izmin)-zcon)>1.0e-8) { rad_int(radindx,xrad,yrad,zcon,ixmin,iymin,izmin, vrad,pradx,prady,pradz); } else { @@ -2945,9 +2943,9 @@ void PairComb3::tor_calc(double r, Param *parami, Param *paramj, torindx=torindx-1; - if (fabs(float(ixmin)-xtor)>1.0e-8 || - fabs(float(iymin)-ytor)>1.0e-8 || - fabs(float(izmin)-zcon)>1.0e-8) { + if (fabs(double(ixmin)-xtor)>1.0e-8 || + fabs(double(iymin)-ytor)>1.0e-8 || + fabs(double(izmin)-zcon)>1.0e-8) { tor_int(torindx,xtor,ytor,zcon,ixmin,iymin,izmin, vtor,dtorx,dtory,dtorz); } else {