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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3580 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-12-18 18:42:09 +00:00
parent dd810206a9
commit e02002f46c
1 changed files with 3 additions and 0 deletions
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3
src/compute_property_local.cpp
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@ -268,6 +268,8 @@ int ComputePropertyLocal::count_bonds(int flag)
only count if 2nd atom is the one storing the angle
all atoms in interaction must be in group
all atoms in interaction must be known to proc
if angle is deleted (type = 0), do not count
if angle is turned off (type < 0), still count
------------------------------------------------------------------------- */
int ComputePropertyLocal::count_angles(int flag)
@ -292,6 +294,7 @@ int ComputePropertyLocal::count_angles(int flag)
if (atom1 < 0 || !(mask[atom1] & groupbit)) continue;
atom3 = atom->map(angle_atom3[atom2][i]);
if (atom3 < 0 || !(mask[atom3] & groupbit)) continue;
if (angle_type[atom2][i] == 0) continue;
if (flag) {
indices[m][0] = atom2;