/* By default we turn SIMD kernels on, but it might be turned off further down... */
fr->use_simd_kernels = TRUE;
- if (check_box(ir->ePBC, box))
+ if (check_box(ir->pbcType, box))
{
- gmx_fatal(FARGS, "%s", check_box(ir->ePBC, box));
+ gmx_fatal(FARGS, "%s", check_box(ir->pbcType, box));
}
/* Test particle insertion ? */
/* Neighbour searching stuff */
fr->cutoff_scheme = ir->cutoff_scheme;
- fr->ePBC = ir->ePBC;
+ fr->pbcType = ir->pbcType;
/* Determine if we will do PBC for distances in bonded interactions */
- if (fr->ePBC == epbcNONE)
+ if (fr->pbcType == PbcType::No)
{
fr->bMolPBC = FALSE;
}
}
else
{
- fr->bMolPBC = dd_bonded_molpbc(cr->dd, fr->ePBC);
+ fr->bMolPBC = dd_bonded_molpbc(cr->dd, fr->pbcType);
if (useEwaldSurfaceCorrection && !dd_moleculesAreAlwaysWhole(*cr->dd))
{