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Add monopole electrostatic potential and field with unit tests#2

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chinmaybhardwaj711 wants to merge 1 commit intotheochem:mainfrom
chinmaybhardwaj711:feature/electrostatic-monopole
Open

Add monopole electrostatic potential and field with unit tests#2
chinmaybhardwaj711 wants to merge 1 commit intotheochem:mainfrom
chinmaybhardwaj711:feature/electrostatic-monopole

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@chinmaybhardwaj711
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This PR introduces initial support for electrostatic monopole contributions in the electrostatics module.

Added:

  • monopole_potential(q,r_vec)
  • monopole_field(q, r_vec)

Features:

  • Uses atomic units
  • Handles r -> 0 safely
  • Fully tested

Tests:

  • Added test_electrostatics.py
  • All existing test passed (9 passed)

@chinmaybhardwaj711
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@FarnazH @ccastilloo
Happy to implement dipole contributions next in a separate PR if this approach aligns with the project.

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