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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-17 18:43:09 +00:00
parent 961be6ee48
commit bad19033d0
172 changed files with 2523 additions and 2184 deletions
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9
src/set.cpp
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@ -440,11 +440,12 @@ void Set::selection(int n)
if (style == ATOM_SELECT) {
if (atom->tag_enable == 0)
error->all(FLERR,"Cannot use set atom with no atom IDs defined");
force->bounds(id,BIG,nlo,nhi);
bigint nlobig,nhibig;
force->boundsbig(id,MAXTAGINT,nlobig,nhibig);
int *tag = atom->tag;
tagint *tag = atom->tag;
for (int i = 0; i < n; i++)
if (tag[i] >= nlo && tag[i] <= nhi) select[i] = 1;
if (tag[i] >= nlobig && tag[i] <= nhibig) select[i] = 1;
else select[i] = 0;
} else if (style == MOL_SELECT) {
@ -711,7 +712,7 @@ void Set::set(int keyword)
/* ----------------------------------------------------------------------
set an owned atom property randomly
set seed based on atom tag
set seed based on atom coordinates
make atom result independent of what proc owns it
------------------------------------------------------------------------- */