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Update pytest.yml (#609)

* Update pytest.yml

* Update coordination_number_calculation.py (#608)

* Update coordination_number_calculation.py

replace cumtrapz for cumulative_trapezoid

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

* Update requirements.txt

* Update green_kubo_ionic_conductivity.py

* Update green_kubo_self_diffusion_coefficients.py

* [pre-commit.ci] auto fixes from pre-commit.com hooks

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* Update kirkwood_buff_integrals.py

* Update setup.py

* Update dev-requirements.txt

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