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 //------------------------------- -*- C++ -*- -------------------------------//
 // Copyright Celeritas contributors: see top-level COPYRIGHT file for details
 // SPDX-License-Identifier: (Apache-2.0 OR MIT)
 //---------------------------------------------------------------------------//
 //! \file celeritas/em/data/LivermorePEData.hh
 //---------------------------------------------------------------------------//
 #pragma once
 
 #include "corecel/Macros.hh"
 #include "corecel/Types.hh"
 #include "corecel/cont/Range.hh"
 #include "corecel/data/Collection.hh"
 #include "corecel/grid/NonuniformGridData.hh"
 #include "corecel/math/Quantity.hh"
 #include "celeritas/Quantities.hh"
 #include "celeritas/Types.hh"
 
 namespace celeritas
 {
 //---------------------------------------------------------------------------//
 /*!
  * Electron subshell data.
  *
  * The binding energy of consecutive shells is *not* always decreasing.
  * However, it is guaranteed to be less than or equal to the parent element's
  * \c thresh_lo value.
  */
 struct LivermoreSubshell
 {
     using EnergyUnits = units::Mev;
     using XsUnits = units::Barn;
     using Energy = RealQuantity<EnergyUnits>;
     using Real6 = Array<real_type, 6>;
 
     // Binding energy of the electron
     Energy binding_energy;
 
     // Tabulated subshell photoionization cross section (used below 5 keV)
     NonuniformGridRecord xs;
 
     // Fit parameters for the integrated subshell photoionization cross
     // sections in the two different energy ranges (used above 5 keV)
     Array<Real6, 2> param;
 
     //! True if assigned and valid
     explicit CELER_FUNCTION operator bool() const
     {
         return binding_energy > celeritas::zero_quantity() && xs;
     }
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Elemental photoelectric cross sections for the Livermore model.
  */
 struct LivermoreElement
 {
     using Energy = LivermoreSubshell::Energy;
 
     // TOTAL CROSS SECTIONS
 
     // Total cross section below the K-shell energy. Uses linear interpolation.
     NonuniformGridRecord xs_lo;
 
     // Total cross section above the K-shell energy but below the energy
     // threshold for the parameterized cross sections. Uses spline
     // interpolation.
     NonuniformGridRecord xs_hi;
 
     // SUBSHELL CROSS SECTIONS
 
     ItemRange<LivermoreSubshell> shells;
 
     // Energy threshold for using the parameterized subshell cross sections in
     // the lower and upper energy range
     Energy thresh_lo;  //!< Use tabulated XS below this energy
     Energy thresh_hi;  //!< Use lower parameterization below, upper above
 
     //! Energy below which cross sections are calculated on the fly
     static CELER_CONSTEXPR_FUNCTION Energy tabulated_threshold()
     {
         return Energy{0.2};
     }
 
     //! Whether all data are assigned and valid
     explicit CELER_FUNCTION operator bool() const
     {
         // Note: xs_lo is not present for elements with only one subshell, so
         // it's valid for xs_lo to be unassigned.
         return xs_hi && !shells.empty() && thresh_lo <= thresh_hi;
     }
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Livermore photoelectric cross section data and binding energies.
  */
 template<Ownership W, MemSpace M>
 struct LivermorePEXsData
 {
     template<class T>
     using Items = Collection<T, W, M>;
     template<class T>
     using ElementItems = Collection<T, W, M, ElementId>;
 
     //// MEMBER DATA ////
 
     Items<LivermoreSubshell> shells;
     ElementItems<LivermoreElement> elements;
 
     // Backend data
     Items<real_type> reals;
 
     //// MEMBER FUNCTIONS ////
 
     //! Whether all data are assigned and valid
     explicit CELER_FUNCTION operator bool() const
     {
         return !shells.empty() && !elements.empty() && !reals.empty();
     }
 
     //! Assign from another set of data
     template<Ownership W2, MemSpace M2>
     LivermorePEXsData& operator=(LivermorePEXsData<W2, M2> const& other)
     {
         CELER_EXPECT(other);
         shells = other.shells;
         elements = other.elements;
         reals = other.reals;
         return *this;
     }
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Helper struct for making assignment easier
  */
 struct LivermorePEIds
 {
     //! ID of an electron
     ParticleId electron;
     //! ID of a gamma
     ParticleId gamma;
 
     //! Whether the IDs are assigned
     explicit CELER_FUNCTION operator bool() const { return electron && gamma; }
 };
 
 //---------------------------------------------------------------------------//
 /*!
  * Device data for creating a LivermorePEInteractor.
  */
 template<Ownership W, MemSpace M>
 struct LivermorePEData
 {
     using Mass = units::MevMass;
 
     //// MEMBER DATA ////
 
     //! IDs in a separate struct for readability/easier copying
     LivermorePEIds ids;
 
     //! 1 / electron mass [1 / Mass]
     real_type inv_electron_mass;
 
     //! Livermore EPICS2014 photoelectric data
     LivermorePEXsData<W, M> xs;
 
     //// MEMBER FUNCTIONS ////
 
     //! Whether all data are assigned and valid
     explicit CELER_FUNCTION operator bool() const
     {
         return ids && inv_electron_mass > 0 && xs;
     }
 
     //! Assign from another set of data
     template<Ownership W2, MemSpace M2>
     LivermorePEData& operator=(LivermorePEData<W2, M2> const& other)
     {
         CELER_EXPECT(other);
         ids = other.ids;
         inv_electron_mass = other.inv_electron_mass;
         xs = other.xs;
         return *this;
     }
 };
 
 //---------------------------------------------------------------------------//
 }  // namespace celeritas

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