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Author:
License:
Apache-2.0
Summary:
Derivative coupling calculation
Latest version:
0.14.2
Required dependencies:
h5py
|
mendeleev
|
more-itertools
|
nano-utils
|
noodles
|
numpy
|
packaging
|
plams
|
pyyaml
|
qmflows
|
schema
|
scipy
Optional dependencies:
assertionlib
|
flake8
|
flake8-pyproject
|
ipython
|
mypy
|
nano-cat
|
nano-utils
|
numpy
|
pydocstyle
|
pyparsing
|
pytest
|
pytest-cov
|
pytest-mock
|
qmflows
|
sphinx
|
sphinx-rtd-theme
|
types-pyyaml
|
types-setuptools
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