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Author:
None
Summary:
A compute wrapper for Quantum Chemistry, ingesting and producing QCSchema for a variety of QC programs.
Latest version:
0.50.0
Required dependencies:
packaging
|
psutil
|
py-cpuinfo
|
pydantic
|
pydantic-settings
|
pyyaml
|
qcelemental
Optional dependencies:
autodoc-pydantic
|
black
|
codecov
|
isort
|
numpydoc
|
pre-commit
|
pytest
|
pytest-cov
|
sphinx
|
sphinx-rtd-theme
|
sphinxcontrib-napoleon
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