MultiPie

A Python library for a database of crystallographic (magnetic) point and space groups, and constructing Symmetry-Adapted Multipole Basis (SAMB). Molecular or crystal structures and generated SAMB are best drawn by using QtDraw.

  • Authors: Hiroaki Kusunose and Rikuto Oiwa

  • Installation: MultiPie can be installed from PyPI using pip on Python >= 3.11:

    pip install multipie

    You can also visit PyPI or GitHub to download the source.

  • Requirements:

    • This library optionally requires TeXLive environment to create LaTeX and PDF files.
    • Molecular or crystal structure files are optionally generated by QtDraw.

  • Citing MultiPie and QtDraw: If you are using MultiPie and/or QtDraw in your scientific research, please help our scientific visibility by citing our work:

    Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B 107, 195118 (2023).
    DOI: https://doi.org/10.1103/PhysRevB.107.195118

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Newer release available (2.3.4)

2 maintainers

PyPI data
Data sourced directly from PyPI's database.
Avatar for HiroX from gravatar.com HiroX Avatar for rikuto-oiwa from gravatar.com rikuto-oiwa

Credits

Author: Hiroaki Kusunose

License

MIT License (MIT License)

Requires

Python >=3.11

Provides Extra

dev

Tags

group theory condensed matter materials science symmetry-adapted basis

Classifiers

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