Пакет: libvotca-2024 (2024.2-2)

[ Източник: votca  ]

VOTCA molecular dynamics analysis - shared libraries

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.

libvotca contains VOTCA's coarse-graining and excitation transport libraries.

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