real * fshift;
int n,n0,n1,i,i0,i1,nrnb_ind,sz;
t_nblists *nblists;
- gmx_bool bWater;
- nb_kernel_t * kernelptr;
- nb_adress_kernel_t * adresskernelptr;
+ gmx_bool bWater;
FILE * fp;
int fac=0;
int nthreads = 1;
int outeriter,inneriter;
real * tabledata = NULL;
gmx_gbdata_t gbdata;
+
+ nb_kernel_t *kernelptr=NULL;
+ nb_adress_kernel_t *adresskernelptr=NULL;
gmx_bool bCG; /* for AdresS */
int k;/* for AdresS */
bForeignLambda = (flags & GMX_DONB_FOREIGNLAMBDA);
bCG = FALSE; /* for AdresS */
- adresskernelptr = NULL;
gbdata.gb_epsilon_solvent = fr->gb_epsilon_solvent;
gbdata.epsilon_r = fr->epsilon_r;
skipped*/
if (mdatoms->pureex && bCG && nb_kernel_list[nrnb_ind] != NULL) continue;
if (mdatoms->purecg && !bCG && nb_kernel_list[nrnb_ind] != NULL) continue;
- kernelptr = NULL;
- adresskernelptr = NULL;
}
if (fr->adress_type == eAdressOff ||