The trsetbuild script is working properly.
The trsetbuild script is now a module (that can be used also as a normal script)
trsetbuild has been modified to generate a nicer rule.dat file

calculator.py works... it stil need to be tested and some part is missing. Some other part could be "classified"
calculator can be used as a class. Provide the results at every level of the computation
The default method is now dftb_std -> dftb3+3ob parameters
The enviroment variables are now set directly inside the calculator class
This modifications work with a modified ase-calculator, where the HubbardDerivs are 
 setted automaticly when the ThirdOrder=Yes keywork is specified. 
 !! The Hamiltonian_HubbardDerivs_ = '' Has to be specified in the calculator call !!
 !! The DampXH and its exponent have to be specified in the calculator call !!
I need dispersion energy interaction in Kcal/mol since the reference values are in kcal/mol
Added values to work directly on my office's workstation
With some comment it ca be adapted to be used with my workstation and my laptop
y
The dftb_std function is now working better because it let the user to choose all the keyword for the input in
an easy way.
Added an interface for the D3H4 dispersion correction
Added an interface for the dftb_rezack method
Fix: an "import os" was missing and the DFTB_PREFIX for the dftb_std method was wrong
Mod: the calculator.py is now made to work with rule file in the GMTNK30 format. The trsetbuild.py
     has been modified to create rule.dat files in this format.
New: A MAD_calculator.py has been added with most of the option one can need to run stuff quickly.
New: turbo2xyz.py is able to transform turbomol geometry files in "normal" xyz files. Note that all the 
     geometries for the GMTKN30 dataset are provided in bohr.
Fix: Some message and some output
Add: The 'dft' method can be choose with the --method option
Add: The dft method has been added to the calculator. Since the dft computation should be run within the queing 
     system to do not make the script too much complicated, the calculator ask for all the gaussian sp of all the
     molecule found in the rule.dat file. Moreover the __init__ function has had been modified to specify which tag
     has to be used based on the choice of the method.

Add: g09_getPopulation.py is a modulus/script that retrieve mulliken population from gaussian single-point output.
     It is used inside the 'gaussian' function in order to create the tag files needed from dDMC.
New: Create the g09 input if a file xyz and a template for the input are provided. There are keyword to
     put in the template in order to generate the proper input.
Fix: Gaussian outputs are different at random, so sometimes the "atomic charges" compare instead of the
     "mulliken charges". This version should support both cases.
Fix: It was not printing the right format for the rule.dat file.
New: This script allows to combine more rule.dat files.