Commit cfe818a1 authored by Dan Ibanez's avatar Dan Ibanez
Browse files

remove unused variables from fix_cmap

parent f8506fee
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+4 −7
Original line number Diff line number Diff line
@@ -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