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cctbx / cctbx_project

Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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Port the diffBragg diffuse halo code to the exascale/kokkos API. #957

Closed nksauter closed 4 months ago

nksauter commented 5 months ago

The code compiles and passes the simtbx and LS49 unit tests. New tests need to be implemented because at present there are no tests that actually exercise the diffuse API within simtbx/kokkos, the "exascale API". A test is also needed to compare the diffuse halo calculation of diffBragg to that of the exascale API to assure the simulated images are equal or at least close.

nksauter commented 5 months ago

Asking for review from @phyy-nx due to CI failure

phyy-nx commented 5 months ago

Asking for review from @phyy-nx due to CI failure

Looks like it was a time-out, one that happens intermittently. We'll see if it passes this on this latest commit.

nksauter commented 4 months ago

I plan to merge this branch today, then add the planned unit test at a later date.