bond data removed

Samo Penic

2012-02-23 e016c401c98b6a33392b551b2c40fccded21efe3

 src/energy.c

@@ -74,16 +74,16 @@
        tot=0.5*tot;
        xlen=vtx_distance_sq(j,vtx);
#ifdef  TS_DOUBLE_DOUBLE 
        data->bond[jj-1]->data->bond_length=sqrt(xlen); 
        data->bond[jj-1]->bond_length=sqrt(xlen); 
#endif
#ifdef  TS_DOUBLE_FLOAT
        data->bond[jj-1]->data->bond_length=sqrtf(xlen); 
        data->bond[jj-1]->bond_length=sqrtf(xlen); 
#endif
#ifdef  TS_DOUBLE_LONGDOUBLE 
        data->bond[jj-1]->data->bond_length=sqrtl(xlen); 
        data->bond[jj-1]->bond_length=sqrtl(xlen); 
#endif

        data->bond[jj-1]->data->bond_length_dual=tot*data->bond[jj-1]->data->bond_length;
        data->bond[jj-1]->bond_length_dual=tot*data->bond[jj-1]->bond_length;

        s+=tot*xlen;
        xh+=tot*(j->data->x - data->x);