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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12309 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-08-14 13:10:39 +00:00
parent 7e3fd44a0b
commit 405a2fd487
2 changed files with 3 additions and 3 deletions
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4
src/compute_bond_local.cpp
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@ -157,8 +157,8 @@ int ComputeBondLocal::compute_bonds(int flag)
atom2 = atom->map(bond_atom[atom1][i]);
} else {
tagprev = tag[atom1] - iatom - 1;
btype = atom->map(onemols[imol]->bond_type[atom1][i]);
atom2 = atom->map(onemols[imol]->bond_atom[atom1][i]+tagprev);
btype = atom->map(onemols[imol]->bond_type[iatom][i]);
atom2 = atom->map(onemols[imol]->bond_atom[iatom][i]+tagprev);
}
if (atom2 < 0 || !(mask[atom2] & groupbit)) continue;

2
src/dump_image.cpp
View File

@ -766,7 +766,7 @@ void DumpImage::create_image()
atom2 = atom->map(bond_atom[atom1][m]);
} else {
tagprev = tag[i] - iatom - 1;
btype = atom->map(onemols[imol]->bond_type[atom1][m]);
btype = atom->map(onemols[imol]->bond_type[iatom][m]);
atom2 = atom->map(onemols[imol]->bond_atom[iatom][m]+tagprev);
}