diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp index 26aaef60d7..8534a8bf33 100644 --- a/src/MOLECULE/fix_cmap.cpp +++ b/src/MOLECULE/fix_cmap.cpp @@ -230,7 +230,7 @@ void FixCMAP::min_setup(int vflag) void FixCMAP::pre_neighbor() { - int i,m,itype,atom1,atom2,atom3,atom4,atom5; + int i,m,atom1,atom2,atom3,atom4,atom5; // guesstimate initial length of local crossterm list // if ncmap was not set (due to read_restart, no read_data), @@ -842,7 +842,7 @@ void FixCMAP::set_map_derivatives(double **map, double **d1yo, double **d2yo, // use the bicubic spline to calculate the derivatives int i, j, k, ii, jj, xm, p; - double phi, psi, y, d1y, d2y, d12y, tyyk,tdyk; + double phi, psi, d1y, d2y, d12y, tyyk,tdyk; double *tmp_y, *tmp_dy, *tmp_ddy, **tmap, **tddmap; int ix; double a,b,a1,b1,a2,b2; @@ -850,7 +850,6 @@ void FixCMAP::set_map_derivatives(double **map, double **d1yo, double **d2yo, xm = CMAPDIM/2; p = CMAPDIM; - y = 0.; d1y = 0.; d2y = 0.; d12y = 0.; @@ -907,8 +906,6 @@ void FixCMAP::set_map_derivatives(double **map, double **d1yo, double **d2yo, b1 = b*b*b-b; a2 = 3.0*a*a-1.0; b2 = 3.0*b*b-1.0; - y = a*tmp_y[ix]+b*tmp_y[ix+1]+ - (a1*tmp_ddy[ix]+b1*tmp_ddy[ix+1])*(CMAPDX*CMAPDX)/6.0; d1y = (tmp_y[ix+1]-tmp_y[ix])/CMAPDX- a2/6.0*CMAPDX*tmp_ddy[ix]+b2/6.0*CMAPDX*tmp_ddy[ix+1]; spline(tmp_dy,tmp_ddy,CMAPDIM+xm+xm); @@ -1015,8 +1012,8 @@ void FixCMAP::bc_interpol(double x1, double x2, int low1, int low2, double *gs, // gradients and cross-derivatives // calculate the interpolated value of the point of interest (POI) - int i, p=12; - double t, u, fac, gs1l, gs2l, gs1u, gs2u; + int i; + double t, u, gs1l, gs2l; // set the interpolation coefficients