}
/* Check that types & charges match for all atoms in molecule */
- for (j = 0; j < nj && match == TRUE; j++)
+ for (j = 0; j < nj && match; j++)
{
if (tmp_vdwtype[j] != solvent_parameters[k].vdwtype[j])
{
match = FALSE;
}
}
- if (match == TRUE)
+ if (match)
{
/* Congratulations! We have a matched solvent.
* Flag it with this type for later processing.
/* Go through all other tpes and see if any have non-zero
* VdW parameters when combined with this one.
*/
- for (k = 0; k < fr->ntype && (has_vdw[j] == FALSE); k++)
+ for (k = 0; k < fr->ntype && (!has_vdw[j]); k++)
{
/* We already checked that the atoms weren't perturbed,
* so we only need to check state A now.
* the charges on atom 2 & 3 should be the same, and only
* atom 1 might have VdW.
*/
- if (has_vdw[1] == FALSE &&
- has_vdw[2] == FALSE &&
+ if (!has_vdw[1] &&
+ !has_vdw[2] &&
tmp_charge[0] != 0 &&
tmp_charge[1] != 0 &&
tmp_charge[2] == tmp_charge[1])
* For this we require thatn atoms 2,3,4 have charge, but not atom 1.
* Only atom 1 mght have VdW.
*/
- if (has_vdw[1] == FALSE &&
- has_vdw[2] == FALSE &&
- has_vdw[3] == FALSE &&
+ if (!has_vdw[1] &&
+ !has_vdw[2] &&
+ !has_vdw[3] &&
tmp_charge[0] == 0 &&
tmp_charge[1] != 0 &&
tmp_charge[2] == tmp_charge[1] &&
bGenericKernelOnly = TRUE;
}
- if (bGenericKernelOnly == TRUE)
+ if (bGenericKernelOnly)
{
bNoSolvOpt = TRUE;
}
*/
if (fr->nbkernel_elec_modifier == eintmodPOTSWITCH &&
fr->nbkernel_vdw_modifier == eintmodPOTSWITCH &&
- bGenericKernelOnly == FALSE)
+ !bGenericKernelOnly)
{
if ((ic->rcoulomb_switch != ic->rvdw_switch) || (ic->rcoulomb != ic->rvdw))
{
fr->nbkernel_elec_modifier == eintmodEXACTCUTOFF &&
(fr->nbkernel_vdw_modifier == eintmodPOTSWITCH || fr->nbkernel_vdw_modifier == eintmodPOTSHIFT))))
{
- if ((ic->rcoulomb != ic->rvdw) && (bGenericKernelOnly == FALSE))
+ if ((ic->rcoulomb != ic->rvdw) && (!bGenericKernelOnly))
{
fr->bcoultab = TRUE;
}
gmx::boolToString(fr->bvdwtab));
}
- if (fr->bvdwtab == TRUE)
+ if (fr->bvdwtab)
{
fr->nbkernel_vdw_interaction = GMX_NBKERNEL_VDW_CUBICSPLINETABLE;
fr->nbkernel_vdw_modifier = eintmodNONE;
}
- if (fr->bcoultab == TRUE)
+ if (fr->bcoultab)
{
fr->nbkernel_elec_interaction = GMX_NBKERNEL_ELEC_CUBICSPLINETABLE;
fr->nbkernel_elec_modifier = eintmodNONE;