votca-data - 2022.1-1 main

Versatile Object-Oriented Toolkit for Coarse-Graining Applications (VOTCA)
is a modeling package for the analysis of molecular dynamics data, the
development of systematic coarse-graining techniques, and methods used for
simulating microscopic charge transport in disordered semiconductors.
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This package contains architecture independent coarse-graining scripts
and basis sets.