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[ Fonte: votca  ]

Pacote: votca-data (2024.2-4)

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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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