Пакет: votca-data (2024-2)

[ Източник: votca  ]

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.

Други пакети, свързани с votca-data

• dep: bash (>= 4)

  GNU Bourne Again SHell

• rec: libjs-sphinxdoc (>= 7.2.2)

  JavaScript support for Sphinx documentation

• rec: perl

  Larry Wall's Practical Extraction and Report Language

• rec: python3

  interactive high-level object-oriented language (default python3 version)

• rec: sphinx-rtd-theme-common (>= 2.0.0+dfsg)

  sphinx theme from readthedocs.org (common files)

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