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texture-ued
texture-ued PublicPython tools to produce pole figures and predict the electron diffraction of textured polycrystalline samples
Python 1
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ArpackMAC
ArpackMAC PublicA set of Julia modules to diagonalise TB Hamiltonians for very large MAC fragments.
Julia
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percolate_mac
percolate_mac PublicCode whose aime is to derive MAC's electronic transport properties using percolation theory
Jupyter Notebook
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qcnico
qcnico PublicSet of functions to process quantum chemical dta and to read from QCFFPI output files.
Python
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molecular_conductance
molecular_conductance PublicPython scripts modelling conductance through MAC using Landauer-Buttiker
Python
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