Add screening to point charge and related quantities and tests

[marco-2023]

Checklist

• Write a good description of what the PR does.
• Add tests for each unit of code added (e.g. function, class)
• Update documentation
• Rebase onto master

Type of Changes

	Type
✓	✨ New feature

Related

[Copilot]

Pull Request Overview

This PR adds screening support to point charge integrals and related stress tensor quantities. The changes enable optional basis function screening for performance optimization while maintaining numerical accuracy.

Key changes:

• Added screen_basis and tol_screen parameters to point charge integral functions
• Updated stress tensor evaluation functions to support screening
• Changed default screen_basis value from True to False across multiple integral types for consistency
• Enhanced tests to verify screened and non-screened calculations match within tolerance

Reviewed Changes

Copilot reviewed 18 out of 18 changed files in this pull request and generated 1 comment.

Show a summary per file

File	Description
gbasis/integrals/point_charge.py	Implemented screening logic for point charge integrals with point masking
gbasis/integrals/nuclear_electron_attraction.py	Added screening parameters to nuclear-electron attraction integrals
gbasis/evals/stress_tensor.py	Added screening support to stress tensor, Ehrenfest force, and Hessian functions
gbasis/integrals/overlap.py	Changed default screen_basis from True to False
gbasis/integrals/overlap_asymm.py	Changed default screen_basis from True to False
gbasis/integrals/kinetic_energy.py	Changed default screen_basis from True to False
gbasis/integrals/momentum.py	Changed default screen_basis from True to False
gbasis/integrals/moment.py	Changed default screen_basis from True to False
gbasis/integrals/angular_momentum.py	Changed default screen_basis from True to False
gbasis/evals/eval.py	Changed default screen_basis from True to False and updated docstrings
gbasis/evals/eval_deriv.py	Changed default screen_basis from True to False and updated docstrings
gbasis/evals/density.py	Changed default screen_basis from True to False across multiple functions
gbasis/evals/electrostatic_potential.py	Added comment explaining no screening for cumulative point charges
tests/test_point_charge.py	Added parametrized tests for screening with tolerance checks
tests/test_nuclear_electron_attraction.py	Added parametrized tests for screening scenarios
tests/test_stress_tensor.py	Enhanced tests with screening parameters and non-screened reference calculations
tests/test_density.py	Simplified parametrization to use tuples instead of separate parameters
tests/test_angular_momentum.py	Added screening tests and adjusted tolerance for screening accuracy test

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