PM7 for QM calculations on cyclics with MOPAC.
New error message thrown when QM method could not be determined.
Adding rate rules for addition of H rad to C=O both C and O sites
This was done using BMK/cbsb7 + 1D-HR in TS

15 minutes of debugging revealed some bad estimated for addition of H to C=O
Fixing bug for calculating flux when the reaction is given in a reaction
library

For bimolecular reactions coming from reaction libraries
RMG did not check the direction in which the reaction was given.
This led to incorrect flux being calculated.

In Reaction library B + C = A  k1
RMG finds reaction A = B + C
RMG old flux = k1 * [A]
Now it checks the direction and calculates the flux
RMG new flux = k1* Keq * [A]

We havent checked what happens in a pdep reaction!

It must also be noted that if in a reaction library,
duplicates reactions are given in different directions
then this fix will fail, since we only have one boolean
to check for every reaction instance !!
Merge branch 'master' of https://github.com/GreenGroup/RMG-Java
Updated rate coefficient for the reaction H2O + butadiene -> 2-butenol
New estimates from the GA method, older ones had problems with endo addition to conjugated double/triple bonds as those were estimated from the exo-additions
The problem was that exo addition to conjugated bonds is faster while a slowing effect is observed for endo.
Added new reaction in Diels Alder2
C#CC=CC=C -> cyc hexatriene
This might(?) be important for aromatics.