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move Force::bounds() and Force::boundsbig() to utils.

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This commit is contained in:
Axel Kohlmeyer
2020-08-29 18:23:03 -04:00
parent 3be064748d
commit fcd0b9f78f
233 changed files with 751 additions and 498 deletions
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6
src/set.cpp
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@ -633,7 +633,7 @@ 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(FLERR,id,MAXTAGINT,nlobig,nhibig);
utils::boundsbig(FLERR,id,1,MAXTAGINT,nlobig,nhibig,error);
tagint *tag = atom->tag;
for (int i = 0; i < n; i++)
@ -644,7 +644,7 @@ 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(FLERR,id,MAXTAGINT,nlobig,nhibig);
utils::boundsbig(FLERR,id,1,MAXTAGINT,nlobig,nhibig,error);
tagint *molecule = atom->molecule;
for (int i = 0; i < n; i++)
@ -652,7 +652,7 @@ void Set::selection(int n)
else select[i] = 0;
} else if (style == TYPE_SELECT) {
force->bounds(FLERR,id,atom->ntypes,nlo,nhi);
utils::bounds(FLERR,id,1,atom->ntypes,nlo,nhi,error);
int *type = atom->type;
for (int i = 0; i < n; i++)