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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-05-12 13:54:17 +00:00
parent c3a95c782b
commit 212f64d2f1
7 changed files with 21 additions and 26 deletions
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6
src/neighbor.cpp
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@ -2075,6 +2075,9 @@ int Neighbor::coord2bin(double *x)
{
int ix,iy,iz;
if (!ISFINITE(x[0]) || !ISFINITE(x[1]) || !ISFINITE(x[2]))
error->one(FLERR,"Non-numeric positions - simulation unstable");
if (x[0] >= bboxhi[0])
ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx;
else if (x[0] >= bboxlo[0]) {
@ -2108,6 +2111,9 @@ int Neighbor::coord2bin(double *x)
int Neighbor::coord2bin(double *x, int &ix, int &iy, int &iz)
{
if (!ISFINITE(x[0]) || !ISFINITE(x[1]) || !ISFINITE(x[2]))
error->one(FLERR,"Non-numeric positions - simulation unstable");
if (x[0] >= bboxhi[0])
ix = static_cast<int> ((x[0]-bboxhi[0])*bininvx) + nbinx;
else if (x[0] >= bboxlo[0]) {