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Make MIN_DIST as an input parameter #51

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yakutovicha opened this issue Aug 7, 2024 · 0 comments
Open

Make MIN_DIST as an input parameter #51

yakutovicha opened this issue Aug 7, 2024 · 0 comments
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enhancement New feature or request

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Currently, MIN_DIST is a constant that is hardcoded to 1.9. It would be better to make it an input parameter so users can adjust it for their needs. The current value is in Bohr, but the input parameter should be in Anstroem.
@yakutovicha yakutovicha added the enhancement New feature or request label Aug 7, 2024
@yakutovicha yakutovicha self-assigned this Aug 7, 2024
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