Save species dictionary when saving Java kinetics library.
Installation instructions for rdkit on Mac added
QMTP compatible with G03 and MOPAC2009.

Making them backwards compatible. Once the environment
variables have been set correctly, they should work.
Fix for people without the environment variable GAUSS_EXEDIR set

os.getenv('UNDEFINED') returns None, which is not a string,
which messes things up later.
Translated .xml input files to current format.

Addresses issue #122
Add missing imports necessary for kinetics database group fitting.

I guess these were only used in bits of the code that are called from
RMG-database/kineticsGroups.py, but they're definitely needed for that.
Merge branch 'master' of github.com:GreenGroup/RMG-Py
Properly handle more than 2 duplicate reactions when loading chemkin file.
Be more forgiving when parsing number of atoms in thermo entry from chemkin.
Fixed reading of pressures from plogs from old quantity object style.
Corrected species' structure typos in TEOS example input file.
Import rdkit to molecule to start making changes.
Make an RDKit molecule from and RMG molecule
Convert RDKit molecules to SMILES, InChI, SMARTS, and InChIKeys.

All done via RDKit. Therefore, to generate a SMILES, or InChI
from an RMG molecule, the molecule is first converted to a
RDKit molecule.
Convert RDKit molecule to RMG molecule.

Need to keep the spin multiplicity in mind, not 100%
correct.
Conversion to and from CML format not supported in RDKit

Seems to be only used in input files, which is nice, but
not needed. If it becomes an important feature we might have
to revisit this or write our own CML converter.
Fixed drawing of multiple rings in a molecule. Fused rings still broken.
Fixed multiple ring drawing again (fused rings still broken).
Save the QM generated thermo to a library automatically.

Makes it easier to run simulations later without having to keep
all MOPAC output files.  Perhaps we want to compile a giant qm thermo library
and add it to the RMG-database to save computation time in the future.
Added units to wilhoit parameters for monatomic spc

Cantherm was throwing an invalid quantity error for
species like H as the units were not explicitly
mentioned for wilhoit parameters. The units added are
Cp, Cp0 and CpInf (J/(mol*K))
H (J/mol)
S (J/(mol*K))

The output was checked for H atom with primary thermo
library and looks okay.