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base repository: caltechmsc/cheq
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base: v0.4.0
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head repository: caltechmsc/cheq
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compare: v0.5.0
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  • 11 commits
  • 5 files changed
  • 1 contributor

Commits on Dec 31, 2025

  1. feat(types): Implement PointCharge and ExternalPotential structs for … 

    …electrostatic embedding
    @TKanX
    TKanX committed Dec 31, 2025
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  2. test(types): Add unit tests for PointCharge and ExternalPotential str… 

    …ucts
    @TKanX
    TKanX committed Dec 31, 2025
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  3. feat(solver): Implement charge equilibration with external electrosta… 

    …tic fields
    @TKanX
    TKanX committed Dec 31, 2025
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  4. test(solver): Add unit tests for solving in external electric fields

    @TKanX
    TKanX committed Dec 31, 2025
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  5. feat(solver): Export ExternalPotential and PointCharge from types module

    @TKanX
    TKanX committed Dec 31, 2025
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  6. refactor(solver): Refactor SCF iteration logic into separate method f… 

    …or clarity and reuse
    @TKanX
    TKanX committed Dec 31, 2025
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  7. docs(readme): Add External Field Support feature to README

    @TKanX
    TKanX committed Dec 31, 2025
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  8. chore(readme): Update Cheq version to 0.5.0 in README

    @TKanX
    TKanX committed Dec 31, 2025
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  9. chore(package): Update version to 0.5.0 in Cargo.toml

    @TKanX
    TKanX committed Dec 31, 2025
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  10. docs(types): Correct comment for electrostatic potential in ExternalP… 

    …otential struct
    @TKanX
    TKanX committed Dec 31, 2025
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  11. Merge pull request #20 from caltechmsc/feature/19-implement-custom-ex… 

    …ternal-electric-fields-electrostatic-embedding

feat(solver): Implement External Electrostatic Field Support
    @TKanX
    TKanX authored Dec 31, 2025
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