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Author:
Kane Shenton
Summary:
Core engine and CLI for ensemble-averaged EXAFS spectroscopy from MD trajectories
Latest version:
0.3.0
Required dependencies:
ase
|
h5py
|
numpy
|
pymatgen
|
scipy
|
xraylarch
Optional dependencies:
altair
|
marimo
|
matplotlib
|
myst-parser
|
rich
|
sphinx
|
sphinx-book-theme
|
sphinx-copybutton
|
sphinx-design
|
typer
|
weas-widget
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