double dbl;
const t_block *cgs;
gmx_bool bGenericKernelOnly;
- gmx_bool bTab, bSep14tab, bNormalnblists;
+ gmx_bool bMakeTables, bMakeSeparate14Table, bSomeNormalNbListsAreInUse;
t_nblists *nbl;
int *nm_ind, egp_flags;
* A little unnecessary to make both vdw and coul tables sometimes,
* but what the heck... */
- bTab = fr->bcoultab || fr->bvdwtab || fr->bEwald;
+ bMakeTables = fr->bcoultab || fr->bvdwtab || fr->bEwald;
- bSep14tab = ((!bTab || fr->eeltype != eelCUT || fr->vdwtype != evdwCUT ||
- fr->bBHAM || fr->bEwald) &&
- (gmx_mtop_ftype_count(mtop, F_LJ14) > 0 ||
- gmx_mtop_ftype_count(mtop, F_LJC14_Q) > 0 ||
- gmx_mtop_ftype_count(mtop, F_LJC_PAIRS_NB) > 0));
+ bMakeSeparate14Table = ((!bMakeTables || fr->eeltype != eelCUT || fr->vdwtype != evdwCUT ||
+ fr->bBHAM || fr->bEwald) &&
+ (gmx_mtop_ftype_count(mtop, F_LJ14) > 0 ||
+ gmx_mtop_ftype_count(mtop, F_LJC14_Q) > 0 ||
+ gmx_mtop_ftype_count(mtop, F_LJC_PAIRS_NB) > 0));
negp_pp = ir->opts.ngener - ir->nwall;
negptable = 0;
- if (!bTab)
+ if (!bMakeTables)
{
- bNormalnblists = TRUE;
- fr->nnblists = 1;
+ bSomeNormalNbListsAreInUse = TRUE;
+ fr->nnblists = 1;
}
else
{
- bNormalnblists = (ir->eDispCorr != edispcNO);
+ bSomeNormalNbListsAreInUse = (ir->eDispCorr != edispcNO);
for (egi = 0; egi < negp_pp; egi++)
{
for (egj = egi; egj < negp_pp; egj++)
}
else
{
- bNormalnblists = TRUE;
+ bSomeNormalNbListsAreInUse = TRUE;
}
}
}
}
- if (bNormalnblists)
+ if (bSomeNormalNbListsAreInUse)
{
fr->nnblists = negptable + 1;
}
*/
rtab = ir->rlistlong + ir->tabext;
- if (bTab)
+ if (bMakeTables)
{
/* make tables for ordinary interactions */
- if (bNormalnblists)
+ if (bSomeNormalNbListsAreInUse)
{
make_nbf_tables(fp, oenv, fr, rtab, cr, tabfn, NULL, NULL, &fr->nblists[0]);
if (ir->adress)
{
make_nbf_tables(fp, oenv, fr, rtab, cr, tabfn, NULL, NULL, &fr->nblists[fr->nnblists/2]);
}
- if (!bSep14tab)
+ if (!bMakeSeparate14Table)
{
fr->tab14 = fr->nblists[0].table_elec_vdw;
}
}
}
}
- if (bSep14tab)
+ if (bMakeSeparate14Table)
{
/* generate extra tables with plain Coulomb for 1-4 interactions only */
fr->tab14 = make_tables(fp, oenv, fr, MASTER(cr), tabpfn, rtab,