Add screening to stress tensor module

[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
• Squash commits that can be grouped together
• Rebase onto master

Type of Changes

	Type
✓	✨ New feature

Related

[Copilot]

Pull Request Overview

This PR adds screening functionality to the stress tensor module by introducing screen_basis and tol_screen parameters to three key functions: evaluate_stress_tensor, evaluate_ehrenfest_force, and evaluate_ehrenfest_hessian. The default value for screen_basis has been changed from True to False across multiple modules to maintain consistency.

Key Changes

• Added screen_basis and tol_screen parameters to stress tensor evaluation functions
• Updated default value of screen_basis from True to False across integral and evaluation modules
• Enhanced test coverage to validate screening functionality with both enabled and disabled screening

Reviewed Changes

Copilot reviewed 11 out of 11 changed files in this pull request and generated 2 comments.

Show a summary per file

File	Description
gbasis/evals/stress_tensor.py	Added screening parameters to stress tensor, Ehrenfest force, and Ehrenfest Hessian functions
tests/test_stress_tensor.py	Parametrized tests to validate both screened and non-screened evaluations
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/momentum.py	Changed default screen_basis from True to False
gbasis/integrals/moment.py	Changed default screen_basis from True to False
gbasis/integrals/kinetic_energy.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_deriv.py	Changed default screen_basis from True to False and updated documentation
gbasis/evals/eval.py	Changed default screen_basis from True to False and updated documentation
gbasis/evals/density.py	Changed default screen_basis from True to False across multiple functions

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[Copilot]

The updated documentation on line 85 is incomplete and grammatically incorrect. It should read 'Default value is False.' to match the documentation pattern used elsewhere in the codebase.