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[WIP] Add collisional diagnostic buffers #5543

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budjensen
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Stemming out of conversation #5381 with @roelof-groenewald, included is initial work on adding multifab buffers to track collisional diagnostics in a MCC-type simulation.

The work on two buffers is in progress--one for ionization and one for total collisional energy loss. Both multifabs have been included in Fields.H and initialized in WarpX.cpp. Relevant flags to turn on MCC tracking have been created in WarpX.H and initialized in WarpX.cpp. The energy loss multifab has been added into the collision protocol, and future commits will add the ionization buffer.

In the end, I aim to set up Python access to these multifabs, with similar functionality to the particle_containers.ParticleBoundaryBufferWrapper() wrappers.

budjensen and others added 3 commits January 7, 2025 12:14

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dpgrote commented Jan 8, 2025

This looks good. A comment - these new MultiFabs will automatically be accessible from Python since they are stored in the MultiFab map. You can also add convenience wrappers for them by adding the appropriate wrapper routines in Python/pywarpx/fields.py.

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@dpgrote, thanks for the tip!

const auto [ii, jj, kk] = amrex::getParticleCell(p , plo, dxi).dim3();

// store energy lost in the buffer
coll_ionization_arr(ii, jj, kk, 0) += w[ip + np_elec];
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I've added everything that I think I'll need for this diagnostic, but am running into the following compilation error:

/home/bj8080/src/warpx/Source/Particles/Collision/BackgroundMCC/BackgroundMCCCollision.cpp:603:67: error:
assignment of read-only location 'coll_ionization_arr.amrex::Array4<const double>::operator()<>(((int)ii), ((int)jj), ((int)kk), 0)'
  603 |                                coll_ionization_arr(ii, jj, kk, 0) += w[ip + np_elec];
      |                                ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~

since coll_ionization_tracking is a constant. When I correct for this by removing const from the initialization of coll_ionization_arr and the earlier line initializing coll_ionization, I get an error:

/home/bj8080/src/warpx/Source/Particles/Collision/BackgroundMCC/BackgroundMCCCollision.cpp:586:67:
error: cannot bind non-const lvalue reference of type 'amrex::Array4<double>&' to an rvalue of type 'amrex::Array4<double>'
  586 |             auto& coll_ionization_arr = coll_ionization[pti].array();
      |                                         ~~~~~~~~~~~~~~~~~~~~~~~~~~^~

I think to get around this I should create a multifab to sum up the ionization events, and then add that multifab to coll_ionization_arr. How would I do this? Or, is there a better approach?

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2 participants