"You are probably trying to use a trajectory which does "
"not match the first %d atoms of the run input file.\n"
"You can make a matching run input file with gmx convert-tpr.",
- at_end, at_end);
+ at_end,
+ at_end);
}
if (ftype == F_SETTLE)
{
{
if (!g->edges[i].empty())
{
- fprintf(log, "%5d%7d%7d%7d %1s%5zu", g->edgeAtomBegin + i + 1,
- g->ishift[g->edgeAtomBegin + i][XX], g->ishift[g->edgeAtomBegin + i][YY],
+ fprintf(log,
+ "%5d%7d%7d%7d %1s%5zu",
+ g->edgeAtomBegin + i + 1,
+ g->ishift[g->edgeAtomBegin + i][XX],
+ g->ishift[g->edgeAtomBegin + i][YY],
g->ishift[g->edgeAtomBegin + i][ZZ],
- (!g->edgeColor.empty()) ? cc[g->edgeColor[i]] : " ", g->edges[i].size());
+ (!g->edgeColor.empty()) ? cc[g->edgeColor[i]] : " ",
+ g->edges[i].size());
for (const int edge : g->edges[i])
{
fprintf(log, " %5d", edge + 1);
}
if (debug)
{
- fprintf(debug, "graph partNr[] numAtomsChanged=%d, bMultiPart=%s\n", numAtomsChanged,
+ fprintf(debug,
+ "graph partNr[] numAtomsChanged=%d, bMultiPart=%s\n",
+ numAtomsChanged,
gmx::boolToString(haveMultipleParts));
}
} while (numAtomsChanged > 0);
"mk_grey: shifts for atom %d due to atom %d\n"
"are (%d,%d,%d), should be (%d,%d,%d)\n"
"dx = (%g,%g,%g)\n",
- aj + 1, ai + 1, is_aj[XX], is_aj[YY], is_aj[ZZ], g->ishift[aj][XX],
- g->ishift[aj][YY], g->ishift[aj][ZZ], dx[XX], dx[YY], dx[ZZ]);
+ aj + 1,
+ ai + 1,
+ is_aj[XX],
+ is_aj[YY],
+ is_aj[ZZ],
+ g->ishift[aj][XX],
+ g->ishift[aj][YY],
+ g->ishift[aj][ZZ],
+ dx[XX],
+ dx[YY],
+ dx[ZZ]);
}
(*nerror)++;
}
"There are inconsistent shifts over periodic boundaries in a molecule type "
"consisting of %d atoms. The longest distance involved in such interactions is "
"%.3f nm which is %s half the box length.",
- g->shiftAtomEnd, maxDistance, maxDistance >= 0.5 * minBoxSize ? "above" : "close to");
+ g->shiftAtomEnd,
+ maxDistance,
+ maxDistance >= 0.5 * minBoxSize ? "above" : "close to");
switch (g->parts)
{