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Structure Factors with amrex::FFT #178

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Structure Factors with amrex::FFT #178

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ajnonaka
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@ajnonaka ajnonaka commented Jan 3, 2025

Replace FFTW and heffte with amrex::FFT.
I also changed the way flattened SF's work (slices, vertical averages, and surface coverage) - they are no longer rotated to z-normal, it will work with any project_dir and the flattened SF plotfile will have the appropriate layout (not always z-normal).
Also there is a lot of miscellaneous cleanup of unused variables, files, and function arguments.

@ajnonaka ajnonaka requested a review from isriva January 3, 2025 17:36
@ajnonaka ajnonaka marked this pull request as ready for review January 3, 2025 21:09
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ajnonaka commented Jan 3, 2025

@changhokim @HyuntaeJung if you do any further tests or simulations please use this branch and let me know if you see any issues. The goal here is to use the amrex::FFT parallel FFT backend instead of heffte/fftw/rocFFT, etc... All my testing so far shows no change in results.

Make sure to update amrex as well.

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ajnonaka commented Jan 4, 2025

I still need to fix the unpacking case when Nx=1 (and the spectral domain is Ny/2+1)

…ncated FFT into a full multifab. In these cases the spectral box is from Ny/2+1 since there is only 1 cell in x, and analogous for the Nx=Ny=1 cases, the spectral box here is Nz/2+1
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