PyPI page
Home page
Author:
Yasuhide Mochizuki
Summary:
The offline symmetry lab for crystals and molecules: crystal-orbital and SALC irreps, space-group irrep products, isotropy subgroups, phonon irreps, symmetry-adapted modulations, molecular point groups and MO diagrams -- from a POSCAR or an XYZ file.
Latest version:
0.4.4
Required dependencies:
ase
|
matplotlib
|
numpy
|
pandas
|
phonopy
|
pymatgen
|
requests
|
scipy
|
seekpath
|
spglib
|
spgrep
|
sympy
Optional dependencies:
build
|
crystod
|
ipykernel
|
myst-parser
|
nbconvert
|
pyscf
|
ruff
|
sphinx
|
sphinx-book-theme
|
sphinx-copybutton
|
twine
Downloads last day:
14
Downloads last week:
128
Downloads last month:
376
7-day smoothing