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Handle some edge cases with preset charges #1070

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Handle some edge cases with preset charges #1070

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Commits on Oct 3, 2024

  1. TST: Add test cases for edge behavior with preset charges

    @mattwthompson
    mattwthompson committed Oct 3, 2024
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  2. ENH: Pre-process charge_from_molecules argument

    @mattwthompson
    mattwthompson committed Oct 3, 2024
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  3. DOC: Update release history, docstring

    @mattwthompson
    mattwthompson committed Oct 3, 2024
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  4. FIX: Fix tests

    @mattwthompson
    mattwthompson committed Oct 3, 2024
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Commits on Oct 4, 2024

  1. TST: Test interaction of preset charges and virtual sites

    @mattwthompson
    mattwthompson committed Oct 4, 2024
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  2. DOC: Document charge assignment hierarchy, preset charges quirks

    @mattwthompson
    mattwthompson committed Oct 4, 2024
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  3. FIX: Set default value of cached charges to dict

    @mattwthompson
    mattwthompson committed Oct 4, 2024
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  4. BUG: Clear charge cache before (re-?)building

    @mattwthompson
    mattwthompson committed Oct 4, 2024
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