[ ソース: votca ]
パッケージ: votca (2024.1-1)
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).
その他の votca 関連パッケージ
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- dep: libboost-program-options1.83.0 (>= 1.83.0)
- C++ 用プログラムオプションライブラリ
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- dep: libc6 (>= 2.38)
- GNU C ライブラリ: 共有ライブラリ
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libgcc-s1 (>= 3.4)
- GCC 共有ライブラリ
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) サポートライブラリ
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- dep: libhdf5-103-1t64
- HDF5 C runtime files - serial version
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- dep: libhdf5-cpp-103-1t64 (>= 1.10.8)
- HDF5 - C++ runtime files - serial version
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- dep: libstdc++6 (>= 14)
- GNU 標準 C++ ライブラリ v3
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- dep: libvotca-2024 (>= 2024.1)
- VOTCA molecular dynamics analysis - shared libraries
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- dep: votca-data (= 2024.1-1)
- VOTCA molecular dynamics analysis - basis sets and scripts
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- rec: python3
- interactive high-level object-oriented language (default python3 version)
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- sug: votca-tutorials
- VOTCA molecular dynamics analysis - tutorials