fshift = fr->fshift[0];
facel = gmx_fjsp_set1_v2r8(fr->epsfac);
charge = mdatoms->chargeA;
nvdwtype = fr->ntype;
vdwparam = fr->nbfp;
vdwtype = mdatoms->typeA;
sh_ewald = gmx_fjsp_set1_v2r8(fr->ic->sh_ewald);
ewtab = fr->ic->tabq_coul_FDV0;
ewtabscale = gmx_fjsp_set1_v2r8(fr->ic->tabq_scale);
ewtabhalfspace = gmx_fjsp_set1_v2r8(0.5/fr->ic->tabq_scale);
/* When we use explicit cutoffs the value must be identical for elec and VdW, so use elec as an arbitrary choice */
rcutoff_scalar = fr->rcoulomb;
rcutoff = gmx_fjsp_set1_v2r8(rcutoff_scalar);
rcutoff2 = _fjsp_mul_v2r8(rcutoff,rcutoff);
sh_vdw_invrcut6 = gmx_fjsp_set1_v2r8(fr->ic->sh_invrc6);
rvdw = gmx_fjsp_set1_v2r8(fr->rvdw);
/* Avoid stupid compiler warnings */
jnrA = jnrB = 0;
j_coord_offsetA = 0;
j_coord_offsetB = 0;
outeriter = 0;
inneriter = 0;
/* Start outer loop over neighborlists */
for(iidx=0; iidx<nri; iidx++)
{
shiftidx = nlist->shift;
gid = nlist->gid;
shiftvec = fr->shift_vec[0];
fshift = fr->fshift[0];
facel = gmx_fjsp_set1_v2r8(fr->epsfac);
charge = mdatoms->chargeA;
nvdwtype = fr->ntype;
vdwparam = fr->nbfp;
vdwtype = mdatoms->typeA;
vftab = kernel_data->table_elec->data;
vftabscale = gmx_fjsp_set1_v2r8(kernel_data->table_elec->scale);
/* Setup water-specific parameters */
inr = nlist->iinr[0];
iq0 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+0]));
iq1 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+1]));
iq2 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+2]));
vdwioffset0 = 2*nvdwtype*vdwtype[inr+0];
/* Avoid stupid compiler warnings */
jnrA = jnrB = 0;
j_coord_offsetA = 0;
j_coord_offsetB = 0;
outeriter = 0;
inneriter = 0;
/* Start outer loop over neighborlists */
for(iidx=0; iidx<nri; iidx++)
{
nri = nlist->nri;
iinr = nlist->iinr;
jindex = nlist->jindex;
jjnr = nlist->jjnr;
shiftidx = nlist->shift;
gid = nlist->gid;
shiftvec = fr->shift_vec[0];
fshift = fr->fshift[0];
nvdwtype = fr->ntype;
vdwparam = fr->nbfp;
vdwtype = mdatoms->typeA;
vdwgridparam = fr->ljpme_c6grid;
sh_lj_ewald = gmx_fjsp_set1_v2r8(fr->ic->sh_lj_ewald);
ewclj = gmx_fjsp_set1_v2r8(fr->ewaldcoeff_lj);
ewclj2 = _fjsp_mul_v2r8(minus_one,_fjsp_mul_v2r8(ewclj,ewclj));
/* Avoid stupid compiler warnings */
jnrA = jnrB = 0;
j_coord_offsetA = 0;
j_coord_offsetB = 0;
outeriter = 0;
inneriter = 0;
/* Start outer loop over neighborlists */
for(iidx=0; iidx<nri; iidx++)
{
/* Load shift vector for this list */
i_shift_offset = DIM*shiftidx[iidx];
iinr = nlist->iinr;
jindex = nlist->jindex;
jjnr = nlist->jjnr;
shiftidx = nlist->shift;
gid = nlist->gid;
shiftvec = fr->shift_vec[0];
fshift = fr->fshift[0];
facel = gmx_fjsp_set1_v2r8(fr->epsfac);
charge = mdatoms->chargeA;
nvdwtype = fr->ntype;
vdwparam = fr->nbfp;
vdwtype = mdatoms->typeA;
vdwgridparam = fr->ljpme_c6grid;
sh_lj_ewald = gmx_fjsp_set1_v2r8(fr->ic->sh_lj_ewald);
ewclj = gmx_fjsp_set1_v2r8(fr->ewaldcoeff_lj);
ewclj2 = _fjsp_mul_v2r8(minus_one,_fjsp_mul_v2r8(ewclj,ewclj));
sh_ewald = gmx_fjsp_set1_v2r8(fr->ic->sh_ewald);
ewtab = fr->ic->tabq_coul_FDV0;
ewtabscale = gmx_fjsp_set1_v2r8(fr->ic->tabq_scale);
ewtabhalfspace = gmx_fjsp_set1_v2r8(0.5/fr->ic->tabq_scale);
/* When we use explicit cutoffs the value must be identical for elec and VdW, so use elec as an arbitrary choice */
rcutoff_scalar = fr->rcoulomb;
rcutoff = gmx_fjsp_set1_v2r8(rcutoff_scalar);
rcutoff2 = _fjsp_mul_v2r8(rcutoff,rcutoff);
sh_vdw_invrcut6 = gmx_fjsp_set1_v2r8(fr->ic->sh_invrc6);
rvdw = gmx_fjsp_set1_v2r8(fr->rvdw);
/* Avoid stupid compiler warnings */
iinr = nlist->iinr;
jindex = nlist->jindex;
jjnr = nlist->jjnr;
shiftidx = nlist->shift;
gid = nlist->gid;
shiftvec = fr->shift_vec[0];
fshift = fr->fshift[0];
facel = gmx_fjsp_set1_v2r8(fr->epsfac);
charge = mdatoms->chargeA;
krf = gmx_fjsp_set1_v2r8(fr->ic->k_rf);
krf2 = gmx_fjsp_set1_v2r8(fr->ic->k_rf*2.0);
crf = gmx_fjsp_set1_v2r8(fr->ic->c_rf);
/* Setup water-specific parameters */
inr = nlist->iinr[0];
iq1 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+1]));
iq2 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+2]));
iq3 = _fjsp_mul_v2r8(facel,gmx_fjsp_set1_v2r8(charge[inr+3]));
/* When we use explicit cutoffs the value must be identical for elec and VdW, so use elec as an arbitrary choice */
rcutoff_scalar = fr->rcoulomb;
rcutoff = gmx_fjsp_set1_v2r8(rcutoff_scalar);
rcutoff2 = _fjsp_mul_v2r8(rcutoff,rcutoff);
/* Avoid stupid compiler warnings */
jnrA = jnrB = 0;
j_coord_offsetA = 0;
j_coord_offsetB = 0;
outeriter = 0;
inneriter = 0;
