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Author:
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Summary:
Koopmans spectral functional calculations with python and Quantum ESPRESSO
Latest version:
1.2.0
Required dependencies:
argparse
|
ase-koopmans
|
deepdiff
|
dill
|
matplotlib
|
numpy
|
pandas
|
pybtex
|
pydantic
|
scikit-learn
|
scipy
|
spglib
|
tabulate
|
typing
|
upf-tools
Optional dependencies:
codecov
|
coverage
|
flake8
|
hypothesis
|
myst-parser
|
numpydoc
|
pylint
|
pytest
|
pytest-console-scripts
|
pytest-cov
|
pytest-dependency
|
recommonmark
|
sphinx
|
sphinx-pyproject
|
sphinx_rtd_theme
|
sphinx_toolbox
|
sphinxcontrib-bibtex
|
types-pyyaml
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