This folder outlines all pertinent GCMC simulations used for the publication.

\atoms

Outlines the Atom input files used within the GCMC simulations

\molecules

Outlines the Molecule input files used within the GCMC simulations

\Graphs
This folder contains all significant graphs used within the publication.
It is organised relative to how it is displayed in the paper. 

If displayed in the paper as a single graph in an figure then it will be found in \\Single_Images 
If displayed in the paper as a two graphs in an figure then it will be found in   \\Double_Images 
If displayed in the paper as a three graphs in an figure then it will be found in \\Triple_Images 

\Results
The layout for  methane and ethane in this folder follows Adsorbate\MOF\Temperature

The layout for  ethene in this folder follows two routes depending on whether OMS specific orbital interaction is accounted for within the GCMC simulation:

Adsorbate \ No_OMS \ MOF \ Temperature  
or
Adsorbate \ OMS \ Parameter derived from which MOF DFT profile \ MOF \ Temperature \ Pressure_Points

\src
Source code for compilation of executables

To compile select relevant driver from folder within. Change F90 name from 'music_****.F90' to 'music.F90' and place inside src folder.
Run command ./makemake from within src folder within terminal
Run command ./make from within src folder within terminal

Relevant executable will be made within GCMC folder called 'music', rename as wanted.

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Within the folders further Read_Me files will explain any Simulations which are not immediately identifiable.