pdihs_noener_simd
#endif
(nbn, idef->il[ftype].iatoms+nb0,
- idef->iparams,
- (const rvec*)x, f,
- pbc, g, lambda[efptFTYPE], md, fcd,
- global_atom_index);
+ idef->iparams,
+ (const rvec*)x, f,
+ pbc, g, lambda[efptFTYPE], md, fcd,
+ global_atom_index);
v = 0;
}
else
{
v = do_nonbonded_listed(ftype, nbn, iatoms+nb0, idef->iparams, (const rvec*)x, f, fshift,
pbc, g, lambda, dvdl, md, fr, grpp, global_atom_index);
-
+
if (bPrintSepPot)
{
fprintf(fplog, " %-5s + %-15s #%4d dVdl %12.5e\n",
t_fcdata *fcd, int *global_atom_index,
t_atomtypes gmx_unused *atype, gmx_genborn_t gmx_unused *born,
int force_flags,
- gmx_bool bPrintSepPot, gmx_large_int_t step)
+ gmx_bool bPrintSepPot, gmx_int64_t step)
{
gmx_bool bCalcEnerVir;
int i;
real dvdl_dum[efptNR];
rvec *f, *fshift;
const t_pbc *pbc_null;
- t_idef idef_fe;
+ t_idef idef_fe;
if (fr->bMolPBC)
{