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.
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Authors: Hiroaki Kusunose and Rikuto Oiwa
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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
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Requirements:
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See also:
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