Пакет: votca (2024.1-1)

[ Източник: votca  ]

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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arm64	581,3 кБ	3 987,0 кБ	[списък на файловете]
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ppc64 (неофициална архитектура)	601,9 кБ	4 563,0 кБ	[списък на файловете]
ppc64el	641,5 кБ	4 499,0 кБ	[списък на файловете]
riscv64	598,3 кБ	2 663,0 кБ	[списък на файловете]
s390x	590,5 кБ	3 215,0 кБ	[списък на файловете]
sparc64 (неофициална архитектура)	564,3 кБ	24 848,0 кБ	[списък на файловете]