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University of Cologne
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Electrical-Conductivity
Electrical-Conductivity PublicThis repository contains Python implementation of the Green Kubo relation used to calculate electrical conductivity from MD simulations
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Viscosity
Viscosity PublicThis repository contains Python code to calculate shear viscosity from components of stress tensor using Green Kubo relation
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Spectral-decomposition-of-electrical-conductivity
Spectral-decomposition-of-electrical-conductivity PublicThis repository contains Python code to calculate spectral decomposition of electrical conductivity
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Dipole-matching
Dipole-matching PublicThis repository contains Python code to implement dipole matching routine to optimise parameters of Polarizable Ion Model (PIM)
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