Update coordination_number_calculation.py #608
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replace cumtrapz for cumulative_trapezoid
for more information, see https://pre-commit.ci
SamTov
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Nov 8, 2024
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* 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 for more information, see https://pre-commit.ci --------- 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 for more information, see https://pre-commit.ci * Update kirkwood_buff_integrals.py * Update setup.py * Update dev-requirements.txt --------- Co-authored-by: Alvaro Vazquez-Mayagoitia <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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replace cumtrapz for cumulative_trapezoid
Solving:
ImportError: cannot import name 'cumtrapz' from 'scipy.integrate' (/avazquez/my-venv/lib/python3.11/site-packages/scipy/integrate/init.py)
cumtrapz is not present in 1.4.1 scipy see https://github.com/scipy/scipy/tree/v1.4.1/scipy/integrate