if (r - i > 0.01 || r - i < -0.01)
{
- gmx_fatal(FARGS, "A non-integer value (%f) was supplied for '%s' in %s", r, name,
+ gmx_fatal(FARGS,
+ "A non-integer value (%f) was supplied for '%s' in %s",
+ r,
+ name,
interaction_function[ftype].longname);
}
if (i < limit)
{
- gmx_fatal(FARGS, "Value of '%s' in %s is %d, which is smaller than the minimum of %d", name,
- interaction_function[ftype].longname, i, limit);
+ gmx_fatal(FARGS,
+ "Value of '%s' in %s is %d, which is smaller than the minimum of %d",
+ name,
+ interaction_function[ftype].longname,
+ i,
+ limit);
}
return i;
gmx_fatal(FARGS,
"Invalid geometry for flat-bottomed position restraint.\n"
"Expected number between 1 and %d. Found %d\n",
- efbposresNR - 1, newparam->fbposres.geom);
+ efbposresNR - 1,
+ newparam->fbposres.geom);
}
newparam->fbposres.r = old[1];
newparam->fbposres.k = old[2];
ffp->reppow = reppow;
enter_function(&(nbtypes[F_LJ]), static_cast<t_functype>(F_LJ), comb, reppow, ffp, nullptr, TRUE, TRUE);
- enter_function(&(nbtypes[F_BHAM]), static_cast<t_functype>(F_BHAM), comb, reppow, ffp, nullptr,
- TRUE, TRUE);
+ enter_function(
+ &(nbtypes[F_BHAM]), static_cast<t_functype>(F_BHAM), comb, reppow, ffp, nullptr, TRUE, TRUE);
for (size_t mt = 0; mt < mtop->moltype.size(); mt++)
{
if ((i != F_LJ) && (i != F_BHAM)
&& ((flags & IF_BOND) || (flags & IF_VSITE) || (flags & IF_CONSTRAINT)))
{
- enter_function(&(interactions[i]), static_cast<t_functype>(i), comb, reppow, ffp,
- &molt->ilist[i], FALSE, (i == F_POSRES || i == F_FBPOSRES));
+ enter_function(&(interactions[i]),
+ static_cast<t_functype>(i),
+ comb,
+ reppow,
+ ffp,
+ &molt->ilist[i],
+ FALSE,
+ (i == F_POSRES || i == F_FBPOSRES));
}
}
}
}
else
{
- enter_function(&(interactions[i]), static_cast<t_functype>(i), comb, reppow,
- ffp, &(*mtop->intermolecular_ilist)[i], FALSE, FALSE);
+ enter_function(&(interactions[i]),
+ static_cast<t_functype>(i),
+ comb,
+ reppow,
+ ffp,
+ &(*mtop->intermolecular_ilist)[i],
+ FALSE,
+ FALSE);
mtop->bIntermolecularInteractions = TRUE;
}