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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-08-21 22:55:12 +00:00
parent 63534501c2
commit 3841dd58ca
35 changed files with 140 additions and 81 deletions
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2
src/compute_angle_local.cpp
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@ -164,7 +164,7 @@ int ComputeAngleLocal::compute_angles(int flag)
atom3 = atom->map(angle_atom3[atom2][i]);
} else {
if (tag[atom2] != onemols[imol]->angle_atom2[atom2][i]) continue;
tagprev = tag[atom1] - iatom - 1;
tagprev = tag[atom2] - iatom - 1;
atype = atom->map(onemols[imol]->angle_type[atom2][i]);
atom1 = atom->map(onemols[imol]->angle_atom1[atom2][i]+tagprev);
atom3 = atom->map(onemols[imol]->angle_atom3[atom2][i]+tagprev);