Add screening to point charge and related quantities and tests - #219

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marco-2023 wants to merge 14 commits into

theochem:masterfrom

marco-2023:screening_point_charge

Commits on Oct 25, 2025

Add screening and test to evaluate_stress_tensor
marco-2023
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64f58ce
Set screening of integrals to False by default
marco-2023
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5d0d622
Add screening and test to evaluate_ehrenfest_force
marco-2023
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8e6bb37
Add screening and test to evaluate_ehrenfest_hessian
marco-2023
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72ab5d3
Add screening and test to evaluate_ehrenfest_hessian
marco-2023
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6644798
Set screening default to False and update docstrings
marco-2023
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c4662c4

Commits on Oct 26, 2025

Add screening to point_charge
marco-2023
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9e75b41
Add minor grammar fix to documentation
marco-2023
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a012b46
Add screening tests to point_charge
marco-2023
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047124d
Add screening tests to angular momentum integrals
marco-2023
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4f5108c
Simplify density tests parametrization
marco-2023
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a2dfc21
Add screening to nuclear_electron_attraction
marco-2023
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2567ff1
Test screening for nuclear_electron_attraction
marco-2023
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2350cfc
Fix inconsitency in a comment, simplify tests parametrizations for angular_momentum
marco-2023
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508f16b