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Document how users can modify charges after creation #1071

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mattwthompson opened this issue Oct 3, 2024 · 0 comments
Open

Document how users can modify charges after creation #1071

mattwthompson opened this issue Oct 3, 2024 · 0 comments
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documentation Improvements or additions to documentation

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@mattwthompson
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Short version

The API can be massaged to modify partial charges after system creation (like Interchange.from_smirnoff) but this is not documented and likely unsafe without much familiarity with Interchange internals.

Some sort of example/cookbook would be useful, in particular nudging users towards how to do it right and what pitfalls to avoid

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