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Versatile Object-oriented Toolkit for Coarse-graining Applications
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Christoph Junghans 4505e1e5d7 Version bump to v2024.1 (bug #2298540)
2024-07-20 17:04:44 -06:00
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README.md

votca

Versatile Object-oriented Toolkit for Coarse-graining Applications is a Coarse-grained modeling package, which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge transport in disordered semiconductors. Wikipedia