ICODE-ADC/lammps
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forgot exceptions in two cases

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This commit is contained in:
Axel Kohlmeyer
2025-03-23 19:02:10 -04:00
parent 6fca985d5d
commit ccbf47c66d
1 changed files with 4 additions and 2 deletions
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6
src/library.cpp
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@ -2430,7 +2430,8 @@ void *lammps_extract_compute(void *handle, const char *id, int style, int type)
}
if (style == LMP_STYLE_ATOM) {
if (!compute->peratom_flag) return nullptr;
if (!compute->peratom_flag)
lammps_throw_error(FNERR, "Compute {} does not compute per-atom vector or array", id);
if (compute->invoked_peratom != lmp->update->ntimestep)
compute->compute_peratom();
if (type == LMP_TYPE_VECTOR) return (void *) compute->vector_atom;
@ -2439,7 +2440,8 @@ void *lammps_extract_compute(void *handle, const char *id, int style, int type)
}
if (style == LMP_STYLE_LOCAL) {
if (!compute->local_flag) return nullptr;
if (!compute->local_flag)
lammps_throw_error(FNERR, "Compute {} does not compute vector or array", id);
if (compute->invoked_local != lmp->update->ntimestep)
compute->compute_local();
if (type == LMP_TYPE_SCALAR) return (void *) &compute->size_local_rows; /* for backward compatibility */