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[ Source: votca  ]

Package: votca (2022.1-1)

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Molecular dynamics analysis - coarse-graining and charge transport

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.

Numerous molecular dynamics packages, including but not limited to GROMACS, ESPREesSo, and LAMPPS, can be used together with VOTCA.

This package contains user programs for the coarse-graining toolkit (CSG) and excitation transport toolkit (XTP).

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Architecture Package Size Installed Size Files
amd64 613.0 kB3,294.0 kB [list of files]
arm64 563.4 kB3,742.0 kB [list of files]
mips64el 566.2 kB4,368.0 kB [list of files]
ppc64el 634.9 kB4,510.0 kB [list of files]
s390x 546.0 kB3,218.0 kB [list of files]