CVode Reactor for a Singles cell

[FernandoIGuerra]

Hi, everyone,
I was wondering if it is possible to call the reactor CVode or any chemical reactor for a single cell. Currently, the reactor takes a box as an input leading that all the box integrates using the same time step. That box comes from the MFIter loop (React.cpp)

I am trying to implement the following algorithm. To achieve so, I need that each cell react at is own characteristic time step that depends of transport coefficients. Thanks in advance.

ReactorCvode::react(
  const amrex::Box& box,
  amrex::Array4<amrex::Real> const& rY_in,
  amrex::Array4<amrex::Real> const& rYsrc_in,
  amrex::Array4<amrex::Real> const& T_in,
  amrex::Array4<amrex::Real> const& rEner_in,
  amrex::Array4<amrex::Real> const& rEner_src_in,
  amrex::Array4<amrex::Real> const& `FC_in,`
  amrex::Array4<int> const& mask,
  amrex::Real& dt_react,
  amrex::Real& time
#ifdef AMREX_USE_GPU
  ,
  amrex::gpuStream_t stream
#endif
)

[baperry2]

The reactors in PelePhysics are designed to advance boxes of cells together because advancing each cell individually would lead to thread divergence and performance degradation on GPU. I don't fully follow the partial algorithm you posted, but it seems to diverge significantly from what is supported in the existing Reactor classes. You may need to define a new reactor class that derives from ReactorBase, which would give you more flexibility in how to compute the reaction rates.