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fix ids once bug in compute chunk/atom

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This commit is contained in:
Steve Plimpton
2023-03-22 10:18:50 -06:00
parent fce1f8e0af
commit cc2106397a
1 changed files with 3 additions and 2 deletions
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5
src/compute_chunk_atom.cpp
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@ -691,9 +691,10 @@ void ComputeChunkAtom::compute_ichunk()
if (invoked_ichunk == update->ntimestep) return; if (invoked_ichunk == update->ntimestep) return;
// if old IDs persist via storage in fixstore, then just retrieve them // if old IDs persist via storage in fixstore, then just retrieve them
// yes if idsflag = ONCE, and already done once // restore = yes if idsflag = ONCE, and already done once
// or if idsflag = NFREQ and lock is in place and are on later timestep // or if idsflag = NFREQ and lock is in place and are on later timestep
// else proceed to recalculate per-atom chunk assignments // else proceed to recalculate per-atom chunk assignments
// if restoring, update invoked_ichunk only for NFREQ case
const int nlocal = atom->nlocal; const int nlocal = atom->nlocal;
int restore = 0; int restore = 0;
@ -701,7 +702,7 @@ void ComputeChunkAtom::compute_ichunk()
if (idsflag == NFREQ && lockfix && update->ntimestep > lockstart) restore = 1; if (idsflag == NFREQ && lockfix && update->ntimestep > lockstart) restore = 1;
if (restore) { if (restore) {
invoked_ichunk = update->ntimestep; if (idsflag == NFREQ) invoked_ichunk = update->ntimestep;
double *vstore = fixstore->vstore; double *vstore = fixstore->vstore;
for (i = 0; i < nlocal; i++) ichunk[i] = static_cast<int>(vstore[i]); for (i = 0; i < nlocal; i++) ichunk[i] = static_cast<int>(vstore[i]);
return; return;