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add error location propagation to force->bounds() and force->boundsbig()

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This commit is contained in:
Axel Kohlmeyer
2016-10-26 15:53:02 -04:00
parent efaa8feab5
commit 35753b8f08
173 changed files with 302 additions and 301 deletions
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6
src/set.cpp
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@ -498,7 +498,7 @@ void Set::selection(int n)
if (atom->tag_enable == 0)
error->all(FLERR,"Cannot use set atom with no atom IDs defined");
bigint nlobig,nhibig;
force->boundsbig(id,MAXTAGINT,nlobig,nhibig);
force->boundsbig(FLERR,id,MAXTAGINT,nlobig,nhibig);
tagint *tag = atom->tag;
for (int i = 0; i < n; i++)
@ -509,7 +509,7 @@ void Set::selection(int n)
if (atom->molecule_flag == 0)
error->all(FLERR,"Cannot use set mol with no molecule IDs defined");
bigint nlobig,nhibig;
force->boundsbig(id,MAXTAGINT,nlobig,nhibig);
force->boundsbig(FLERR,id,MAXTAGINT,nlobig,nhibig);
tagint *molecule = atom->molecule;
for (int i = 0; i < n; i++)
@ -517,7 +517,7 @@ void Set::selection(int n)
else select[i] = 0;
} else if (style == TYPE_SELECT) {
force->bounds(id,atom->ntypes,nlo,nhi);
force->bounds(FLERR,id,atom->ntypes,nlo,nhi);
int *type = atom->type;
for (int i = 0; i < n; i++)