multipie 2.1.4

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

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