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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: