[ 源代码： votca ]
软件包：votca-data（2022.1-1）
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.
其他与 votca-data 有关的软件包
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- dep: bash (>= 4)
- GNU Bourne Again SHell
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- rec: libjs-sphinxdoc (>= 5.2)
- JavaScript support for Sphinx documentation
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- rec: perl
- 拉里 沃尔的实用报表提取语言(Perl)
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- rec: python3
- interactive high-level object-oriented language (default python3 version)
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- rec: sphinx-rtd-theme-common (>= 1.2.0~rc1+dfsg)
- sphinx theme from readthedocs.org (common files)