multipie 1.1.6

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

MultiPie

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

Installation

MultiPie can be installed from PyPI using pip on Python >= 3.8:

pip install multipie

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

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

BibTex:

@article{PhysRevB.107.195118,
title = {Symmetry-adapted modeling for molecules and crystals},
author = {Kusunose, Hiroaki and Oiwa, Rikuto and Hayami, Satoru},
journal = {Phys. Rev. B},
volume = {107},
issue = {19},
pages = {195118},
numpages = {14},
year = {2023},
month = {May},
publisher = {American Physical Society},
doi = {10.1103/PhysRevB.107.195118},
url = {https://link.aps.org/doi/10.1103/PhysRevB.107.195118}
}

Requirements

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

Documentation

Refer to the documentation for detailed installation and usage details.