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[ 源代码: pymatgen  ]

软件包: python3-pymatgen (2022.0.17+dfsg1-1build1)

Python Materials Genomics for materials analysis

Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features:

1.Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.

2. Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats.

3. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc.

4. Electronic structure analyses, such as density of states and band structure.

5. Integration with the Materials Project REST API, Crystallography Open Database.

This package provides the pymtgen module for Python 3.

其他与 python3-pymatgen 有关的软件包

  • 依赖
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  • 建议
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    同时作为一个虚包由这些包填实: libc6-udeb
    dep: libc6 (>= 2.17) [arm64, ppc64el]
    dep: libc6 (>= 2.4) [armhf]
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.11)
    dep: python3 (>= 3.10~)
  • dep: python3-matplotlib (>= 1.5~)
    Python based plotting system in a style similar to Matlab (Python 3)
  • dep: python3-monty (>= 3.0.2~)
    missing complement to Python (Python 3)
  • dep: python3-networkx (>= 2.2~)
    tool to create, manipulate and study complex networks (Python3)
  • dep: python3-numpy (>= 1.20.1~)
    Fast array facility to the Python 3 language
  • dep: python3-palettable (>= 3.1.1~)
    library of color palettes for Python (Python 3)
  • dep: python3-pandas (>= 1.1.3~)
    data structures for "relational" or "labeled" data
  • dep: python3-plotly (>= 4.5.0~)
    Python 3 plotting library for publication-quality graphs
  • dep: python3-requests (>= 2.24.0~)
    elegant and simple HTTP library for Python3, built for human beings
  • dep: python3-ruamel.yaml (>= 0.16.12~)
    roundtrip YAML parser/emitter (Python 3 module)
  • dep: python3-scipy (>= 1.5.2~)
    scientific tools for Python 3
  • dep: python3-spglib (>= 1.9.9.44~)
    C library for crystal symmetry determination - Python3 bindings
  • dep: python3-sympy (>= 1.6.2~)
    Computer Algebra System (CAS) in Python (Python 3)
  • dep: python3-tabulate (>= 0.8.7~)
    pretty-print tabular data in Python3
  • dep: python3-uncertainties (>= 3.1.4~)
    Python3 module for calculations with uncertainties

下载 python3-pymatgen

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硬件架构 软件包大小 安装后大小 文件
amd64 2,037.2 kB14901 kB [文件列表]
arm64 2,029.4 kB14809 kB [文件列表]
armhf 2,019.1 kB14617 kB [文件列表]
ppc64el 2,067.9 kB15169 kB [文件列表]