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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-22 17:44:32 +00:00
parent 25613401a4
commit 127eb167c1
60 changed files with 421 additions and 375 deletions
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7
src/set.cpp
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@ -451,11 +451,12 @@ void Set::selection(int n)
} else if (style == MOL_SELECT) {
if (atom->molecule_flag == 0)
error->all(FLERR,"Cannot use set mol with no molecule IDs defined");
else force->bounds(id,BIG,nlo,nhi,0);
bigint nlobig,nhibig;
force->boundsbig(id,MAXTAGINT,nlobig,nhibig);
int *molecule = atom->molecule;
tagint *molecule = atom->molecule;
for (int i = 0; i < n; i++)
if (molecule[i] >= nlo && molecule[i] <= nhi) select[i] = 1;
if (molecule[i] >= nlobig && molecule[i] <= nhibig) select[i] = 1;
else select[i] = 0;
} else if (style == TYPE_SELECT) {