ir->ns_type = get_eeenum(&inp, "ns-type", ens_names, wi);
printStringNoNewline(&inp, "Periodic boundary conditions: xyz, no, xy");
ir->ePBC = get_eeenum(&inp, "pbc", epbc_names, wi);
- ir->bPeriodicMols = get_eeenum(&inp, "periodic-molecules", yesno_names, wi);
+ ir->bPeriodicMols = get_eeenum(&inp, "periodic-molecules", yesno_names, wi) != 0;
printStringNoNewline(&inp, "Allowed energy error due to the Verlet buffer in kJ/mol/ps per atom,");
printStringNoNewline(&inp, "a value of -1 means: use rlist");
ir->verletbuf_tol = get_ereal(&inp, "verlet-buffer-tolerance", 0.005, wi);
bCanDoLBRules = gmx_within_tol(c6_LB, c6, tol);
}
- if (FALSE == bCanDoLBRules)
+ if (!bCanDoLBRules)
{
*bC6ParametersWorkWithLBRules = FALSE;
}
bCanDoGeometricRules = gmx_within_tol(c6_geometric, c6, tol);
- if (FALSE == bCanDoGeometricRules)
+ if (!bCanDoGeometricRules)
{
*bC6ParametersWorkWithGeometricRules = FALSE;
}
&bLBRulesPossible);
if (ir->ljpme_combination_rule == eljpmeLB)
{
- if (FALSE == bC6ParametersWorkWithLBRules || FALSE == bLBRulesPossible)
+ if (!bC6ParametersWorkWithLBRules || !bLBRulesPossible)
{
warning(wi, "You are using arithmetic-geometric combination rules "
"in LJ-PME, but your non-bonded C6 parameters do not "
}
else
{
- if (FALSE == bC6ParametersWorkWithGeometricRules)
+ if (!bC6ParametersWorkWithGeometricRules)
{
if (ir->eDispCorr != edispcNO)
{