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Author:
Bing Gu
Summary:
Electronic structure, quantum dynamics, and spectroscopy in Python
Latest version:
0.3.0
Required dependencies:
numpy
|
opt-einsum
|
periodictable
|
scipy
Optional dependencies:
ase
|
build
|
h5py
|
jax
|
mace-torch
|
matplotlib
|
numba
|
openmm
|
psutil
|
pyscf
|
pytest
|
roman
|
ruff
|
scikit-learn
|
sphinx
|
sphinx-rtd-theme
|
tensorly
|
tntorch
|
torch
|
twine
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