/MultiPie

A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).

Primary LanguagePythonMIT LicenseMIT

MultiPie

A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB). Molecular or crystal structures are best drawn by using QtDraw.

  • Authors: Hiroaki Kusunose and Rikuto Oiwa

  • 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

  • Installation: MultiPie can be installed from PyPI using pip on Python >= 3.9:

    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.

  • See also: