[ bookworm ]
[ sid ]
[ 源代码： votca ]
软件包：libvotca-2022（2022.1-1）
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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