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

2015-08-21 22:55:12 +00:00
parent 63534501c2
commit 3841dd58ca
35 changed files with 140 additions and 81 deletions
--- a/src/molecule.cpp
+++ b/src/molecule.cpp
@ -1051,6 +1051,7 @@ void Molecule::special_generate()
    for (int i = 0; i < natoms; i++) {
      nspecial[i][0] = num_bond[i];
      for (int j = 0; j < num_bond[i]; j++) {
+        atom1 = i;
        atom2 = bond_atom[i][j];
        if (count[atom1] >= maxspecial)
          error->one(FLERR,"");