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Pakiet: python3-pymatgen (2024.1.27+dfsg1-7)

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.

Inne pakiety związane z python3-pymatgen

  • wymaga
  • poleca
  • sugeruje
  • dep: libc6 (>= 2.27)
    GNU C Library: Shared libraries
    również pakiet wirtualny udostępniany przez libc6-udeb
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.13)
    dep: python3 (>= 3.11~)
  • dep: python3-joblib
    tools to provide lightweight pipelining in Python
  • 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 (>= 1.25.0~)
    Fast array facility to the Python language (Python 3)
  • 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-pybtex (>= 0.22.2~)
    BibTeX-compatible bibliography processor - Python 3 module
  • dep: python3-requests (>= 2.24.0~)
    elegant and simple HTTP library for Python3, built for human beings
  • dep: python3-ruamel.yaml (>= 0.17.0~)
    roundtrip YAML parser/emitter (Python 3 module)
  • dep: python3-scipy (>= 1.5.2~)
    scientific tools for Python 3
  • dep: python3-spglib (>= 2.0.2~)
    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-tqdm (>= 4.41.0~)
    fast, extensible progress bar for Python 3 and CLI tool
  • dep: python3-uncertainties (>= 3.1.4~)
    Python3 module for calculations with uncertainties
  • rec: python3-ase (>= 3.22.1~)
    Atomic Simulation Environment (Python 3)
  • rec: python3-mp-api (>= 0.27.3~)
    Pakiet niedostępny
  • rec: python3-openbabel
    Chemical toolbox library (Python bindings)
  • sug: python-pymatgen-doc
    Pakiet niedostępny

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