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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-02-15 16:10:43 +00:00
parent 5cd677f369
commit 468ef144d4
18 changed files with 23 additions and 30 deletions
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4
src/molecule.cpp
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@ -1168,7 +1168,7 @@ void Molecule::special_generate()
}
if (!dedup) {
if (count[i] >= maxspecial)
error->one(FLERR,"");
error->one(FLERR,"Molecule auto special bond generation overflow");
special[i][count[i]++] = special[special[i][m]-1][j];
nspecial[i][1]++;
}
@ -1192,7 +1192,7 @@ void Molecule::special_generate()
}
if (!dedup) {
if (count[i] >= maxspecial)
error->one(FLERR,"");
error->one(FLERR,"Molecule auto special bond generation overflow");
special[i][count[i]++] = special[special[i][m]-1][j];
nspecial[i][2]++;
}