A python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).
Project description
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 >= 3.9:
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).
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. See also, Manual.
Project details
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