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remove unused variables from fix_cmap

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This commit is contained in:
Dan Ibanez
2017-01-26 08:37:56 -07:00
parent f8506fee23
commit cfe818a175
1 changed files with 4 additions and 7 deletions
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11
src/MOLECULE/fix_cmap.cpp
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@ -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