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Feature request: support for triclinic boxes. #1

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bdice opened this issue Mar 4, 2020 · 0 comments
Open

Feature request: support for triclinic boxes. #1

bdice opened this issue Mar 4, 2020 · 0 comments
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enhancement New feature or request

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@bdice
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bdice commented Mar 4, 2020

I would like to use the "Diffractometer" code in GIXStapose with triclinic boxes, not just orthorhombic boxes. This probably requires careful handling of periodic boundaries, gridding in non-square systems, and linear algebra for various projections and transformations. The freud library may be useful for this. I would ultimately like to consider including this diffraction code as a module in freud.

@jennyfothergill jennyfothergill self-assigned this Jun 23, 2020
@jennyfothergill jennyfothergill added the enhancement New feature or request label Jun 23, 2020
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