Automatically center box when converting to GSD. #80
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…is made of box data instead of reference.
mphoward
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May 29, 2025
Co-authored-by: Michael Howard <mphoward@auburn.edu>
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We had another bug floating around our conversion from_hoomd_gsd. We had previously set I think I've ironed out all the problems with how the conversions work and have checked both orthorhombic and triclinic boxes look correct in Ovito going both directions. @mphoward, please let me know if you see anything else that needs tweaked here! |
mphoward
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Jun 3, 2025
…eature/hoomd-center-box
…der has_particles.
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@mphoward, I've applied the suggested edits! This should be ready for you to take another look! |
mphoward
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Jun 4, 2025
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mphoward
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mphoward
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Thanks! Two small suggestions to simplify the code, then this looks good to me.
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I've made those two changes, so this should be good to go! |
mphoward
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Jun 4, 2025
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Thank you! |
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This adds functionality to automatically center box for conversion to GSD rather than raise an error.
Additionally, this fixes a bug where tilts were not being converted to HOOMD-blue's convention in
to_hoomd_gsd(). I believe this error went unnoticed in our unit tests because we were creating a reference to the tilt data infrom_hoomd_gsd()rather than a copy.