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1. crystal crystal Public

   Python framework capable of prediciting the electron powder diffraction pattern of any crystal structure. This software can take into account the asymmetries in electron density for the atoms in th…

   Python 1 1

2. texture-ued texture-ued Public

   Python tools to produce pole figures and predict the electron diffraction of textured polycrystalline samples

   Python 1

3. ArpackMAC ArpackMAC Public

   A set of Julia modules to diagonalise TB Hamiltonians for very large MAC fragments.

   Julia

4. percolate_mac percolate_mac Public

   Code whose aime is to derive MAC's electronic transport properties using percolation theory

   Jupyter Notebook

5. qcnico qcnico Public

   Set of functions to process quantum chemical dta and to read from QCFFPI output files.

   Python

6. molecular_conductance molecular_conductance Public

   Python scripts modelling conductance through MAC using Landauer-Buttiker

   Python