[ bookworm ]
[ sid ]
[ 原始碼： votca ]
套件：votca（2024.2-1 以及其他的）
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).
其他與 votca 有關的套件
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- dep: libboost-program-options1.83.0 (>= 1.83.0)
- program options library for C++
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- dep: libc6 (>= 2.38)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC 支援函式庫
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libhdf5-310 (>= 1.14.3)
- HDF5 C runtime files - serial version
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- dep: libhdf5-cpp-310 (>= 1.14.4.3)
- HDF5 - C++ runtime files - serial version
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- dep: libstdc++6 (>= 14)
- GNU Standard C++ Library v3
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- dep: libvotca-2024 (>= 2024.2)
- VOTCA molecular dynamics analysis - shared libraries
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- dep: votca-data (= 2024.2-1)
- 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