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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-02-15 15:26:57 +00:00
parent ce579ea42e
commit 70aa37e4c8
106 changed files with 335 additions and 596 deletions
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src/molecule.cpp
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@ -461,7 +461,7 @@ void Molecule::read(int flag)
// error checks
if (natoms < 1) error->all(FLERR,"No or invalid atom count in molecule file");
if (natoms < 1) error->all(FLERR,"No count or invalid atom count in molecule file");
if (nbonds < 0) error->all(FLERR,"Invalid bond count in molecule file");
if (nangles < 0) error->all(FLERR,"Invalid angle count in molecule file");
if (ndihedrals < 0)
@ -1145,7 +1145,7 @@ void Molecule::special_generate()
atom1 = i;
atom2 = bond_atom[i][j];
if (count[atom1] >= maxspecial)
error->one(FLERR,"");
error->one(FLERR,"Molecule auto special bond generation overflow");
special[i][count[atom1]++] = atom2;
}
}