[ ソース: votca ]
パッケージ: votca-data (2022.1-1)
VOTCA molecular dynamics analysis - basis sets and scripts
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.
This package contains architecture independent coarse-graining scripts and basis sets.
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