feat(solver): Implement External Electrostatic Field Support#20

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TKanX merged 10 commits into

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feature/19-implement-custom-external-electric-fields-electrostatic-embedding

Dec 31, 2025

Commits on Dec 31, 2025

feat(types): Implement PointCharge and ExternalPotential structs for electrostatic embedding
TKanX
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test(types): Add unit tests for PointCharge and ExternalPotential structs
TKanX
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feat(solver): Implement charge equilibration with external electrostatic fields
TKanX
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test(solver): Add unit tests for solving in external electric fields
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feat(solver): Export ExternalPotential and PointCharge from types module
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refactor(solver): Refactor SCF iteration logic into separate method for clarity and reuse
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docs(readme): Add External Field Support feature to README
TKanX
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chore(readme): Update Cheq version to 0.5.0 in README
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chore(package): Update version to 0.5.0 in Cargo.toml
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docs(types): Correct comment for electrostatic potential in ExternalPotential struct
TKanX
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