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add some calls to utils::errorurl(22)

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This commit is contained in:
Axel Kohlmeyer
2025-02-17 23:50:41 -05:00
parent fe5d6b154a
commit 0e07eab97f
23 changed files with 36 additions and 33 deletions
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6
src/compute_pair.cpp
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@ -113,7 +113,8 @@ double ComputePair::compute_scalar()
{
invoked_scalar = update->ntimestep;
if (update->eflag_global != invoked_scalar)
error->all(FLERR, "Energy was not tallied on needed timestep");
error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}",
utils::errorurl(22));
double eng;
if (evalue == EPAIR)
@ -133,7 +134,8 @@ void ComputePair::compute_vector()
{
invoked_vector = update->ntimestep;
if (update->eflag_global != invoked_vector)
error->all(FLERR, "Energy was not tallied on needed timestep");
error->all(FLERR, Error::NOLASTLINE, "Energy was not tallied on needed timestep{}",
utils::errorurl(22));
for (int i = 0; i < npair; i++) one[i] = pair->pvector[i];
MPI_Allreduce(one, vector, npair, MPI_DOUBLE, MPI_SUM, world);