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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13167 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-02-26 21:13:29 +00:00
parent 1a1b064e9d
commit 0c65dab764
1 changed files with 2 additions and 2 deletions
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4
src/atom_vec.cpp
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@ -349,7 +349,7 @@ void AtomVec::pack_improper(tagint **buf)
if (newton_bond) {
for (i = 0; i < nlocal; i++)
for (j = 0; j < num_improper[i]; j++) {
buf[m][0] = improper_type[i][j];
buf[m][0] = MAX(improper_type[i][j],-improper_type[i][j]);
buf[m][1] = improper_atom1[i][j];
buf[m][2] = improper_atom2[i][j];
buf[m][3] = improper_atom3[i][j];
@ -360,7 +360,7 @@ void AtomVec::pack_improper(tagint **buf)
for (i = 0; i < nlocal; i++)
for (j = 0; j < num_improper[i]; j++)
if (tag[i] == improper_atom2[i][j]) {
buf[m][0] = improper_type[i][j];
buf[m][0] = MAX(improper_type[i][j],-improper_type[i][j]);
buf[m][1] = improper_atom1[i][j];
buf[m][2] = improper_atom2[i][j];
buf[m][3] = improper_atom3[i][j];