ERF_SDInitialization.H

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#ifndef SDINIT_H_
#define SDINIT_H_
 
#include <string>
#include <vector>
#include <random>
 
#include <AMReX_ParmParse.H>
#include <AMReX_Enum.H>
#include <AMReX_REAL.H>
#include <AMReX_RealBox.H>
#include <AMReX_Geometry.H>
#include <AMReX_Random.H>
#include <AMReX_GpuContainers.H>
 
#include "ERF_Constants.H"
#include "ERF_MaterialProperties.H"
 
/**
 * @brief Initial distribution shape for super-droplets.
 */
AMREX_ENUM(SDInitShape,
    uniform,
    bubble,
    null
);
 
/*! \brief Distribution type enum for GPU compatibility */
AMREX_ENUM(SDDistributionType,
    mass_constant,
    mass_exponential,
    radius_log_normal,
    radius_lognormal_autorange
);
 
/*! \brief List of super-droplet initializations */
namespace SupDropInit
{
    /*! Maximum number of vapour/condensate species */
    const int num_species_max = 10;
 
    /*! Maximum number of aerosols */
    const int num_aerosols_max = 8;
}
 
/**
 * @brief Multiplicity type for super-droplet initialization.
 */
AMREX_ENUM(SDMultiplicityType,
    constant, sampled
);
 
/*! \brief GPU-compatible structure holding distribution parameters */
/*! \brief Resolves a super-droplet input across the two input tiers.
 *
 *  A property may be set once for every block under "<name>.<key>", or overridden
 *  for a single block under "<name>.<idx>.<key>". The common tier is what lets a
 *  property be shared, and is also what keeps input files written before multiple
 *  initializations were supported working unchanged.
 *
 *  Precedence is per-block over common. a_val enters holding the default and leaves
 *  holding the resolved value. The return value reports whether the value came from
 *  the input file, so a caller can tell "the user set this" from "this is the
 *  default" without asking ParmParse whether a name is present.
 *
 *  The resolved value is recorded under the per-block prefix so that it appears in
 *  job_info. That prefix is unique to this block, so the record cannot be read back
 *  by a later block as though the user had set it -- which is precisely what
 *  recording under the common prefix would do.
 */
struct SDInputs
{
    SDInputs (const std::string& a_common, const std::string& a_block)
        : m_common(a_common), m_block(a_block),
          m_common_name(a_common), m_block_name(a_block) {}
 
    template <typename T>
    bool query (const std::string& a_key, T& a_val, const bool a_record = true)
    {
        bool from_inputs = m_block.query(a_key.c_str(), a_val);
        if (!from_inputs) { from_inputs = m_common.query(a_key.c_str(), a_val); }
        if (!from_inputs && a_record) { m_block.add(a_key.c_str(), a_val); }
        return from_inputs;
    }
 
    /*! Array-valued form, length taken from the input. */
    template <typename T>
    bool queryarr (const std::string& a_key, std::vector<T>& a_val)
    {
        bool from_inputs = m_block.queryarr(a_key.c_str(), a_val);
        if (!from_inputs) { from_inputs = m_common.queryarr(a_key.c_str(), a_val); }
        if (!from_inputs) { m_block.addarr(a_key.c_str(), a_val); }
        return from_inputs;
    }
 
    /*! Record a resolved value under the per-block prefix, for provenance only.
     *  Use where one of several alternative spellings of an input is in effect and
     *  only the effective one should be reported. */
    template <typename T>
    void record (const std::string& a_key, T& a_val) { m_block.add(a_key.c_str(), a_val); }
 
    /*! Array-valued form; a_num is the expected number of components. */
    template <typename T>
    bool queryarr (const std::string& a_key, std::vector<T>& a_val, const int a_num)
    {
        bool from_inputs = m_block.queryarr(a_key.c_str(), a_val, 0, a_num);
        if (!from_inputs) { from_inputs = m_common.queryarr(a_key.c_str(), a_val, 0, a_num); }
        if (!from_inputs) { m_block.addarr(a_key.c_str(), a_val); }
        return from_inputs;
    }
 
    amrex::ParmParse m_common;    /*!< common tier: "<name>" */
    amrex::ParmParse m_block;     /*!< per-block tier: "<name>.<idx>" */
    std::string      m_common_name;
    std::string      m_block_name;
};
 
struct SDDistributionParams {
    SDDistributionType dist_type;  /*!< Type of distribution */
    amrex::Real mass_min;          /*!< Minimum mass */
    amrex::Real mass_max;          /*!< Maximum mass */
    amrex::Real mass_mean;         /*!< Mean mass */
    amrex::Real radius_min;        /*!< Minimum radius */
    amrex::Real radius_max;        /*!< Maximum radius */
    amrex::Real radius_mean;       /*!< Mean radius (mu for log-normal) */
    amrex::Real radius_gstd;       /*!< Geometric std dev for radius */
    amrex::Real density;           /*!< Material density */
    amrex::Real numdens;           /*!< Number density for multiplicity */
    amrex::Real cell_volume;       /*!< Cell volume for multiplicity scaling */
    // Pre-computed values for log-normal CDF inversion (truncated distribution)
    amrex::Real cdf_min;           /*!< CDF at radius_min */
    amrex::Real cdf_max;           /*!< CDF at radius_max */
    amrex::Real sigma;             /*!< log(radius_gstd) */
    amrex::Real lnrng;             /*!< log(radius_max) - log(radius_min) */
    amrex::Real lnmin;             /*!< log(radius_min) or log(mass_min) */
    amrex::Real delta;             /*!< mass_mean - mass_min for exponential */
    int sampled_mult;              /*!< 1 if sampled multiplicity, 0 if constant */
};
 
/*! \brief Inverse error function approximation for GPU
 *  \param[in] x Input value in (-1, 1)
 *  \return Approximate inverse error function value
 */
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE
amrex::Real SD_erfinv_gpu(const amrex::Real x) {
    amrex::Real a = amrex::Real(0.147);
    amrex::Real eps = std::numeric_limits<amrex::Real>::epsilon();
    amrex::Real term = std::log(amrex::Real(1) - x * x + eps);
    amrex::Real p1 = amrex::Real(2) / (PI * a) + term / amrex::Real(2);
    amrex::Real p2 = term / a;
    amrex::Real sign = (x >= 0) ? amrex::Real(1) : amrex::Real(-1);
    return sign * std::sqrt(std::sqrt(p1 * p1 - p2) - p1);
}
 
/*! \brief Generate mass from distribution parameters on GPU
 *  \param[in] params Distribution parameters
 *  \param[in] engine Random engine
 *  \param[out] mult_contribution Contribution to multiplicity (added, not set)
 *  \return Generated mass value
 */
AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE
amrex::Real SD_sample_mass_gpu(const SDDistributionParams& params,
                                const amrex::RandomEngine& engine,
                                amrex::Real& mult_contribution)
{
    using amrex::Random;
    amrex::Real mass = 0.0;
    amrex::Real u = Random(engine);
 
    switch (params.dist_type) {
        case SDDistributionType::mass_constant:
            mass = params.mass_mean;
            mult_contribution = u;  // Random [0,1] for later rescaling
            break;
 
        case SDDistributionType::mass_exponential: {
            if (params.sampled_mult) {
                // Sampled multiplicity: sample uniformly in log-space, weight by exponential PDF
                amrex::Real lnval = params.lnmin + u * params.lnrng;
                mass = std::exp(lnval);
                mult_contribution = (params.numdens * params.cell_volume) * std::exp(-mass / params.delta);
            } else {
                // Constant multiplicity: true exponential distribution via inverse transform
                // If U ~ Uniform(0,1), then -delta*ln(U) ~ Exponential(1/delta)
                mass = -params.delta * std::log(u) + params.mass_min;
                mult_contribution = 0.0;  // Not used for constant multiplicity
            }
            break;
        }
 
        case SDDistributionType::radius_log_normal:
        case SDDistributionType::radius_lognormal_autorange: {
            amrex::Real dry_r;
            if (params.sampled_mult) {
                // Sampled multiplicity: sample uniformly in log-space, weight by log-normal PDF
                amrex::Real lnval = params.lnmin + u * params.lnrng;
                dry_r = std::exp(lnval);
                // Log-normal PDF contribution for multiplicity weighting
                amrex::Real term = std::exp(-std::log(dry_r/params.radius_mean)*std::log(dry_r/params.radius_mean)
                                            /(amrex::Real(2)*params.sigma*params.sigma));
                mult_contribution = (params.numdens * params.cell_volume) / (params.sigma * std::sqrt(amrex::Real(2)*PI)) * term;
            } else {
                // Constant multiplicity: true log-normal via inverse CDF
                // Map u from [0,1] to [cdf_min, cdf_max] for truncated distribution
                amrex::Real u_trunc = params.cdf_min + u * (params.cdf_max - params.cdf_min);
                // Inverse CDF: r = mu * exp(sigma * sqrt(2) * erfinv(2*u - 1))
                amrex::Real z = SD_erfinv_gpu(amrex::Real(2) * u_trunc - amrex::Real(1)) * std::sqrt(amrex::Real(2));
                dry_r = params.radius_mean * std::exp(params.sigma * z);
                mult_contribution = 0.0;  // Not used for constant multiplicity
            }
            mass = four_thirds_pi * dry_r * dry_r * dry_r * params.density;
            break;
        }
    }
    return mass;
}
 
/*! \brief Super-droplets initial properties */
class SDInitProperties
{
    public:
 
        virtual ~SDInitProperties() = default;
 
        using MatVec = std::vector<std::unique_ptr<MaterialProperties>>;
 
        /*!< Initial number of super-droplets per cell */
        int m_ppc = 1;
        /*!< Whether particles_per_cell came from the input file. Published by
             readInputs so callers do not have to read the key a second time --
             a second read would find the default this one recorded. */
        bool m_ppc_from_inputs = false;
 
        /*! Initial distribution type */
        SDInitShape m_type = SDInitShape::uniform;
 
        /*!< Initial number density (m^{-3}) of physical particles */
        amrex::Real m_numdens = -1;
        /*!< Maximum multiplicity */
        amrex::Real m_max_multiplicity = 1000000;
        /*!< Apparent (bulk) density of initialized ice particles [kg m^-3];
             <= 0 means use the solid-ice material density (a solid sphere) */
        amrex::Real m_ice_app_density = -1;
 
        /*! Minimum species mass */
        std::vector<amrex::Real> m_mass_species_min;
        /*! Maximum species mass */
        std::vector<amrex::Real> m_mass_species_max;
        /*! Mean species mass */
        std::vector<amrex::Real> m_mass_species_mean;
        /*! Minimum species dry radius */
        std::vector<amrex::Real> m_radius_species_min;
        /*! Maximum species dry radius */
        std::vector<amrex::Real> m_radius_species_max;
        /*! Mean species dry radius */
        std::vector<amrex::Real> m_radius_species_mean;
        /*! Standard deviation of species dry radius */
        std::vector<amrex::Real> m_radius_species_geom_std;
        /*! Initial distribution type for species */
        std::vector<SDDistributionType> m_species_init_type;
 
        /*! Minimum aerosol mass */
        std::vector<amrex::Real> m_mass_aerosol_min;
        /*! Maximum aerosol mass */
        std::vector<amrex::Real> m_mass_aerosol_max;
        /*! Mean aerosol mass */
        std::vector<amrex::Real> m_mass_aerosol_mean;
        /*! Minimum aerosol dry radius */
        std::vector<amrex::Real> m_radius_aerosol_min;
        /*! Maximum aerosol dry radius */
        std::vector<amrex::Real> m_radius_aerosol_max;
        /*! Mean aerosol dry radius */
        std::vector<amrex::Real> m_radius_aerosol_mean;
        /*! Standard deviation of aerosol dry radius */
        std::vector<amrex::Real> m_radius_aerosol_geom_std;
        /*! Initial distribution type for aerosol */
        std::vector<SDDistributionType> m_aerosol_init_type;
 
        /*! Number of species */
        int m_num_species = 0;
        /*! Number of aerosols */
        int m_num_aerosols = 0;
 
        /*! box within which to place particles*/
        amrex::RealBox m_particle_domain;
        /*! Particle distribution shape parameters
        Box shape, p1 -> lo end, p2 -> hi end
        Bubble shape, p1 -> center, p2 -> radius */
        amrex::Vector<amrex::Real> m_init_particle_p1;
        amrex::Vector<amrex::Real> m_init_particle_p2;
 
        /*! multiplicity type */
        SDMultiplicityType m_mult_type;
 
        /*! \brief Set default values for initialization parameters
         * \param[in] a_geom Simulation geometry information
         * \param[in] a_species_mat Vector of species material properties
         * \param[in] a_aerosol_mat Vector of aerosol material properties
         */
        virtual void setDefaults ( const amrex::Geometry& a_geom,
                                   const MatVec& a_species_mat,
                                   const MatVec& a_aerosol_mat );
 
        /*! \brief Read super-droplets initialization parameters from input file
         * \param[in] a_in Two-tier input resolver
         * \param[in] a_key Key identifier for initialization parameters
         * \param[in] a_geom Simulation geometry information
         * \param[in] a_species_mat Vector of species material properties
         * \param[in] a_aerosol_mat Vector of aerosol material properties
         */
        virtual void readInputs ( SDInputs& a_in,
                                  const std::string& a_key,
                                  const amrex::Geometry& a_geom,
                                  const MatVec& a_species_mat,
                                  const MatVec& a_aerosol_mat );
 
        /*! \brief Print super-droplets initialization parameters to screen
         * \param[in] a_species_mat Vector of species material properties
         * \param[in] a_aerosol_mat Vector of aerosol material properties
         */
        virtual void printParameters ( const MatVec& a_species_mat,
                                       const MatVec& a_aerosol_mat ) const;
 
        /*! \brief Get a distribution with constant multiplicity
         * \param[out] a_mass Output vector of particle masses
         * \param[in] a_np Number of particles
         * \param[in] a_density Density of the particle material
         * \param[in] a_init_type Type of initialization distribution
         * \param[in] a_mass_min Minimum mass value
         * \param[in] a_mass_max Maximum mass value
         * \param[in] a_mass_mean Mean mass value
         * \param[in] a_radius_min Minimum radius value
         * \param[in] a_radius_max Maximum radius value
         * \param[in] a_radius_mean Mean radius value
         * \param[in] a_radius_gstd Geometric standard deviation for radius
         * \param[in,out] a_rng Random number generator
         */
        void getDistribution( amrex::Vector<amrex::Real>& a_mass,
                              int a_np,
                              amrex::Real a_density,
                              SDDistributionType a_init_type,
                              amrex::Real a_mass_min,
                              amrex::Real a_mass_max,
                              amrex::Real a_mass_mean,
                              amrex::Real a_radius_min,
                              amrex::Real a_radius_max,
                              amrex::Real a_radius_mean,
                              amrex::Real a_radius_gstd,
                              std::mt19937& a_rng ) const;
 
        /*! \brief Get a distribution with sampled multiplicity
         * \param[out] a_mass Output vector of particle masses
         * \param[out] a_mult Output vector of particle multiplicities
         * \param[in] a_dV Cell volume
         * \param[in] a_np Number of particles
         * \param[in] a_density Density of the particle material
         * \param[in] a_init_type Type of initialization distribution
         * \param[in] a_mass_min Minimum mass value
         * \param[in] a_mass_max Maximum mass value
         * \param[in] a_mass_mean Mean mass value
         * \param[in] a_radius_min Minimum radius value
         * \param[in] a_radius_max Maximum radius value
         * \param[in] a_radius_mean Mean radius value
         * \param[in] a_radius_gstd Geometric standard deviation for radius
         * \param[in,out] a_rng Random number generator
         */
        void getDistribution( amrex::Vector<amrex::Real>& a_mass,
                              amrex::Vector<amrex::Real>& a_mult,
                              amrex::Real a_dV,
                              int a_np,
                              amrex::Real a_density,
                              SDDistributionType a_init_type,
                              amrex::Real a_mass_min,
                              amrex::Real a_mass_max,
                              amrex::Real a_mass_mean,
                              amrex::Real a_radius_min,
                              amrex::Real a_radius_max,
                              amrex::Real a_radius_mean,
                              amrex::Real a_radius_gstd,
                              std::mt19937& a_rng ) const;
 
        /*! \brief Compute the aerosol mass distribution
         * \param[out] a_mass Output vector of aerosol masses
         * \param[in] a_idx Aerosol species index
         * \param[in] a_np Number of particles
         * \param[in] a_density Density of the aerosol material
         * \param[in,out] a_rng Random number generator
         */
        void getAerosolDistribution ( amrex::Vector<amrex::Real>& a_mass,
                                      const int a_idx,
                                      const int a_np,
                                      const amrex::Real a_density,
                                      std::mt19937& a_rng ) const
        {
            getDistribution( a_mass,
                             a_np,
                             a_density,
                             m_aerosol_init_type[a_idx],
                             m_mass_aerosol_min[a_idx],
                             m_mass_aerosol_max[a_idx],
                             m_mass_aerosol_mean[a_idx],
                             m_radius_aerosol_min[a_idx],
                             m_radius_aerosol_max[a_idx],
                             m_radius_aerosol_mean[a_idx],
                             m_radius_aerosol_geom_std[a_idx],
                             a_rng);
        }
 
        /*! \brief Compute the aerosol mass distribution with sampled multiplicity
         * \param[out] a_mass Output vector of aerosol masses
         * \param[out] a_mult Output vector of particle multiplicities
         * \param[in] a_dV Cell volume for scaling multiplicity
         * \param[in] a_idx Aerosol species index
         * \param[in] a_np Number of particles to generate
         * \param[in] a_density Density of the aerosol material
         * \param[in,out] a_rng Random number generator
         */
        void getAerosolDistribution ( amrex::Vector<amrex::Real>& a_mass,
                                      amrex::Vector<amrex::Real>& a_mult,
                                      amrex::Real a_dV,
                                      int a_idx,
                                      int a_np,
                                      amrex::Real a_density,
                                      std::mt19937& a_rng ) const
        {
            getDistribution( a_mass,
                             a_mult,
                             a_dV,
                             a_np,
                             a_density,
                             m_aerosol_init_type[a_idx],
                             m_mass_aerosol_min[a_idx],
                             m_mass_aerosol_max[a_idx],
                             m_mass_aerosol_mean[a_idx],
                             m_radius_aerosol_min[a_idx],
                             m_radius_aerosol_max[a_idx],
                             m_radius_aerosol_mean[a_idx],
                             m_radius_aerosol_geom_std[a_idx],
                             a_rng);
        }
 
        /*! \brief Compute the species mass distribution with constant multiplicity
         * \param[out] a_mass Output vector of species masses
         * \param[in] a_idx Species index
         * \param[in] a_np Number of particles to generate
         * \param[in] a_density Density of the species material
         * \param[in,out] a_rng Random number generator
         */
        void getSpeciesDistribution ( amrex::Vector<amrex::Real>& a_mass,
                                      const int a_idx,
                                      const int a_np,
                                      const amrex::Real a_density,
                                      std::mt19937& a_rng ) const
        {
            getDistribution( a_mass,
                             a_np,
                             a_density,
                             m_species_init_type[a_idx],
                             m_mass_species_min[a_idx],
                             m_mass_species_max[a_idx],
                             m_mass_species_mean[a_idx],
                             m_radius_species_min[a_idx],
                             m_radius_species_max[a_idx],
                             m_radius_species_mean[a_idx],
                             m_radius_species_geom_std[a_idx],
                             a_rng);
        }
 
        /*! \brief Compute the species mass distribution with sampled multiplicity
         * \param[out] a_mass Output vector of species masses
         * \param[out] a_mult Output vector of particle multiplicities
         * \param[in] a_dV Cell volume for scaling multiplicity
         * \param[in] a_idx Species index
         * \param[in] a_np Number of particles to generate
         * \param[in] a_density Density of the species material
         * \param[in,out] a_rng Random number generator
         */
        void getSpeciesDistribution ( amrex::Vector<amrex::Real>& a_mass,
                                      amrex::Vector<amrex::Real>& a_mult,
                                      amrex::Real a_dV,
                                      int a_idx,
                                      int a_np,
                                      amrex::Real a_density,
                                      std::mt19937& a_rng ) const
        {
            getDistribution( a_mass,
                             a_mult,
                             a_dV,
                             a_np,
                             a_density,
                             m_species_init_type[a_idx],
                             m_mass_species_min[a_idx],
                             m_mass_species_max[a_idx],
                             m_mass_species_mean[a_idx],
                             m_radius_species_min[a_idx],
                             m_radius_species_max[a_idx],
                             m_radius_species_mean[a_idx],
                             m_radius_species_geom_std[a_idx],
                             a_rng);
        }
 
        /*! \brief Get GPU-compatible distribution parameters for a species
         * \param[in] a_idx Species index
         * \param[in] a_density Density of the species material
         * \param[in] a_cell_volume Cell volume for multiplicity scaling
         * \param[in] a_sampled_mult Whether using sampled multiplicity mode
         * \return SDDistributionParams structure for GPU use
         */
        [[nodiscard]] SDDistributionParams getSpeciesDistParams(
            int a_idx,
            amrex::Real a_density,
            amrex::Real a_cell_volume,
            bool a_sampled_mult) const
        {
            return makeDistributionParams(
                m_species_init_type[a_idx],
                m_mass_species_min[a_idx],
                m_mass_species_max[a_idx],
                m_mass_species_mean[a_idx],
                m_radius_species_min[a_idx],
                m_radius_species_max[a_idx],
                m_radius_species_mean[a_idx],
                m_radius_species_geom_std[a_idx],
                a_density,
                a_cell_volume,
                a_sampled_mult);
        }
 
        /*! \brief Get GPU-compatible distribution parameters for an aerosol
         * \param[in] a_idx Aerosol species index
         * \param[in] a_density Density of the aerosol material
         * \param[in] a_cell_volume Cell volume for multiplicity scaling
         * \param[in] a_sampled_mult Whether using sampled multiplicity mode
         * \return SDDistributionParams structure for GPU use
         */
        [[nodiscard]] SDDistributionParams getAerosolDistParams(
            int a_idx,
            amrex::Real a_density,
            amrex::Real a_cell_volume,
            bool a_sampled_mult) const
        {
            return makeDistributionParams(
                m_aerosol_init_type[a_idx],
                m_mass_aerosol_min[a_idx],
                m_mass_aerosol_max[a_idx],
                m_mass_aerosol_mean[a_idx],
                m_radius_aerosol_min[a_idx],
                m_radius_aerosol_max[a_idx],
                m_radius_aerosol_mean[a_idx],
                m_radius_aerosol_geom_std[a_idx],
                a_density,
                a_cell_volume,
                a_sampled_mult);
        }
 
        /*! \brief Create GPU-compatible distribution parameters structure
         * \param[in] a_init_type Distribution type
         * \param[in] a_mass_min Minimum mass
         * \param[in] a_mass_max Maximum mass
         * \param[in] a_mass_mean Mean mass
         * \param[in] a_radius_min Minimum radius
         * \param[in] a_radius_max Maximum radius
         * \param[in] a_radius_mean Mean radius
         * \param[in] a_radius_gstd Geometric standard deviation
         * \param[in] a_density Material density
         * \param[in] a_cell_volume Cell volume
         * \param[in] a_sampled_mult Whether using sampled multiplicity mode
         * \return SDDistributionParams structure
         */
        [[nodiscard]] SDDistributionParams makeDistributionParams(
            SDDistributionType a_init_type,
            amrex::Real a_mass_min,
            amrex::Real a_mass_max,
            amrex::Real a_mass_mean,
            amrex::Real a_radius_min,
            amrex::Real a_radius_max,
            amrex::Real a_radius_mean,
            amrex::Real a_radius_gstd,
            amrex::Real a_density,
            amrex::Real a_cell_volume,
            bool a_sampled_mult) const;
 
        /*! \brief Determine whether multiplicity is sampled or constant
         * \return True if multiplicity is sampled, false if constant
         */
        [[nodiscard]] inline bool sampledMultiplicity() const
        {
            return (m_mult_type == SDMultiplicityType::sampled);
        }
 
        /*! \brief Calculate the volume of the particle domain
         *
         * For uniform distribution type, returns the box volume.
         * For bubble distribution type, returns the volume of the bubble.
         *
         * \return Volume of the particle domain in cubic meters
         */
        [[nodiscard]] inline amrex::Real volume() const
        {
            amrex::Real vol = zero;
            if (m_type == SDInitShape::uniform) {
                vol = m_particle_domain.volume();
            } else if (m_type == SDInitShape::bubble) {
                const auto& radius = m_particle_domain.hi();
                vol = four_thirds_pi*radius[0]*radius[1]*radius[2];
            }
            return vol;
        }
 
        virtual int numSDPerCell (const amrex::Real) const = 0;
        virtual amrex::Real numParticlesPerCell (const amrex::Real) const = 0;
 
        /*! \brief Per-box high-multiplicity injection (false for initialization
         *  and legacy per-cell injection). */
        [[nodiscard]] virtual bool perBoxInjection () const { return false; }
        /*! \brief Number of super-droplets to inject in the whole box this step. */
        [[nodiscard]] virtual int injectBoxCount () const { return 0; }
        /*! \brief Multiplicity of each super-droplet injected this step. */
        [[nodiscard]] virtual amrex::Real injectMultiplicity () const { return zero; }
        /*! \brief Reproducible seed for scattering this step's super-droplets. */
        [[nodiscard]] virtual unsigned int injectSeed () const { return 0; }
};
 
/*! \brief Super-droplets initialization structure */
class SDInjection : public SDInitProperties
{
    public:
 
        virtual ~SDInjection() = default;
 
        /*!< Injection rate (number of physical particles per meter^3 second) */
        amrex::Real m_inj_rate = 0;
        /*!< Injection rate (number of SDs per meter^3 second) */
        amrex::Real m_sd_inj_rate = 0;
 
        /*!< Initial number density of super-droplets */
        amrex::Real m_numdens_sd = -1;
 
        /*!< Injection domain velocity */
        amrex::Vector<amrex::Real> m_domain_vel = {zero,zero,zero};
 
        /*!< Start time for injection */
        amrex::Real m_tstart = zero;
 
        /*!< Stop time for injection */
        amrex::Real m_tstop = amrex::Real(1.0e17);
 
        /*!< Accumulated physical-particle number density [m^-3]. When the per-cell
             injection rate is sub-unity, the fractional part is carried here until
             it amounts to at least one super-droplet of unit multiplicity. */
        amrex::Real m_numdens_accum = zero;
        /*!< Injection-level cell volume [m^3], set from geometry at read time */
        amrex::Real m_cell_volume = -1;
        /*!< Number of super-droplets to inject this step (0 = none). Per cell in
             legacy mode; per box in per-box high-multiplicity mode. */
        int m_inject_num_sd = 0;
        /*!< Integer multiplicity of each super-droplet injected this step */
        amrex::Real m_inject_mult = zero;
        /*!< Tolerance below 1 at which an accumulated injection fires */
        amrex::Real m_frac_tol = amrex::Real(1.0e-3);
 
        /*!< Minimum multiplicity for per-box injection (default 100) */
        amrex::Real m_min_multiplicity = 100;
        /*!< Per-box high-multiplicity injection mode (set when particles_per_cell
             is not specified) */
        bool m_perbox = false;
        /*!< True when both sd_rate and min_multiplicity are explicitly specified */
        bool m_both_specified = false;
        /*!< Whether each knob was specified in any readInputs call (the
             resolver reports this exactly, in a single pass). */
        bool m_ppc_specified = false;
        bool m_sd_specified  = false;
        bool m_mm_specified  = false;
        /*!< Effective SD injection rate [# m^-3 s^-1] used in per-box mode */
        amrex::Real m_eff_sd_rate = -1;
        /*!< Injection-box volume [m^3], set from the box at read time */
        amrex::Real m_box_volume = -1;
        /*!< Accumulated super-droplet count owed to the box (per-box mode) */
        amrex::Real m_sd_accum = zero;
        /*!< Count of injection events so far, used as a reproducible scatter seed */
        unsigned int m_inject_count = 0;
        /*!< Reproducible seed for scattering this step's super-droplets */
        unsigned int m_inject_seed = 0;
        /*!< Input prefix (e.g. injection.0) for diagnostic messages */
        std::string m_prefix;
 
        /*! \brief Update time-dependent quantities for particle injection
         *
         * This function updates:
         * 1. The accumulated physical-particle count, and the integer number of
         *    super-droplets and their integer multiplicity to inject this step
         * 2. Position of the injection domain based on domain velocity
         *
         * The number of super-droplets per cell is the specified count (m_ppc, or
         * derived from the SD rate). The physical-particle count accumulates from
         * the injection rate; a step injects only once each of those super-droplets
         * would carry at least unit multiplicity, with integer multiplicity
         * max(round(num_par/num_sd), 1). This lets sub-unity per-step injection
         * rates be honored automatically, with no separate opt-in.
         *
         * \param[in] a_dt Timestep size in seconds
         * \param[in] a_active True while the injection time window is open
         */
        inline void updateDt (const double a_dt, const bool a_active)
        {
            using amrex::Real;
 
            if (m_perbox) {
                // Per-box high-multiplicity injection: accumulate the box-level
                // super-droplet and physical-particle counts. Inject floor(SD
                // count) super-droplets at the implied multiplicity (= rate /
                // eff_sd_rate) once at least one super-droplet is owed. This
                // decouples the super-droplet count from the grid and bounds the
                // population at physical/multiplicity.
                if (a_active) {
                    m_sd_accum      += m_eff_sd_rate * a_dt * m_box_volume;
                    m_numdens_accum += m_inj_rate    * a_dt * m_box_volume;  // physical count in box
                }
                if (a_active && m_sd_accum >= one - m_frac_tol) {
                    const int N = std::max(static_cast<int>(std::floor(m_sd_accum + m_frac_tol)), 1);
                    m_inject_mult   = std::max(std::round(m_numdens_accum / N), one);
                    m_inject_num_sd = N;
                    m_sd_accum      -= N;
                    m_numdens_accum -= N * m_inject_mult;
                    m_inject_seed   = m_inject_count++;
                } else {
                    m_inject_num_sd = 0;
                    m_inject_mult   = zero;
                }
            } else {
 
            // Specified number of super-droplets per cell (m_ppc) or from the SD rate.
            Real num_sd;
            if (m_sd_inj_rate > 0) {
                num_sd = std::max(Real(std::round(m_sd_inj_rate * a_dt * m_cell_volume)), one);
            } else {
                num_sd = std::max(Real(m_ppc), one);
            }
 
            // Physical particles this step (per cell) and the resulting multiplicity.
            const Real par_step  = m_inj_rate * a_dt * m_cell_volume;
            const Real mult_step = par_step / num_sd;
 
            if (!a_active) {
                m_inject_num_sd = 0;
                m_inject_mult   = zero;
            } else if (mult_step >= one) {
                // Each super-droplet already carries at least unit multiplicity:
                // inject the specified count every step (no accumulation).
                m_inject_num_sd = static_cast<int>(num_sd);
                m_inject_mult   = std::max(std::round(mult_step), one);
                m_numdens_accum = zero;
            } else {
                // Sub-unity per-step multiplicity: accumulate the physical-particle
                // count and inject only once it amounts to >= 1 multiplicity.
                m_numdens_accum += m_inj_rate * a_dt;
                const Real num_par = m_numdens_accum * m_cell_volume;
                const Real mult    = num_par / num_sd;
                if (mult >= one - m_frac_tol) {
                    m_inject_mult   = std::max(std::round(mult), one);   // integer multiplicity
                    m_inject_num_sd = static_cast<int>(num_sd);
                    m_numdens_accum -= (num_sd * m_inject_mult) / m_cell_volume;  // carry remainder
                } else {
                    m_inject_num_sd = 0;
                    m_inject_mult   = zero;
                }
            }
 
            }
 
            if (this->m_type == SDInitShape::uniform) {
                amrex::Vector<amrex::Real> lo = {zero, zero, zero};
                amrex::Vector<amrex::Real> hi = {zero, zero, zero};
                for (int dir = 0; dir < AMREX_SPACEDIM; dir++) {
                    lo[dir] = this->m_particle_domain.lo(dir) + m_domain_vel[dir] * a_dt;
                    hi[dir] = this->m_particle_domain.hi(dir) + m_domain_vel[dir] * a_dt;
                }
                this->m_particle_domain.setLo(lo);
                this->m_particle_domain.setHi(hi);
            } else if (m_type == SDInitShape::bubble) {
                amrex::Vector<amrex::Real> center = {zero, zero, zero};
                for (int dir = 0; dir < AMREX_SPACEDIM; dir++) {
                    center[dir] = this->m_particle_domain.lo(dir) + m_domain_vel[dir] * a_dt;
                }
                this->m_particle_domain.setLo(center);
            }
        }
 
        /*! read super-droplets injection parameters */
        void readInputs ( SDInputs&,
                          const std::string&,
                          const amrex::Geometry&,
                          const MatVec&,
                          const MatVec& ) override
        {
            amrex::Abort("SDInjection::readInputs(): Do not use this interface");
        }
 
        /*! \brief Read super-droplet injection parameters from input file
         *
         * This function reads injection-specific parameters like injection rate,
         * timing parameters, and domain velocity.
         *
         * \param[in] a_in Two-tier input resolver
         * \param[in] a_geom Simulation geometry information
         * \param[in] a_species_mat Vector of species material properties
         * \param[in] a_aerosol_mat Vector of aerosol material properties
         * \param[in] a_dt Current timestep size
         */
        void readInputs ( SDInputs& a_in,
                          const amrex::Geometry& a_geom,
                          const MatVec& a_species_mat,
                          const MatVec& a_aerosol_mat,
                          const double a_dt );
 
        /*! print super-droplets injection parameters to screen */
        void printParameters ( const MatVec&, const MatVec& ) const override;
 
        /*! \brief Number of super-droplets to inject per cell this step.
         *  Decided in updateDt() from the accumulated count (0 = inject nothing). */
        [[nodiscard]] inline int numSDPerCell (const amrex::Real /*a_dv*/) const override
        {
            return m_inject_num_sd;
        }
 
        /*! \brief Number of physical particles to inject per cell this step.
         *  Equals num_sd * integer-multiplicity, decided in updateDt(). */
        [[nodiscard]] inline amrex::Real numParticlesPerCell (const amrex::Real /*a_dv*/) const override
        {
            return amrex::Real(m_inject_num_sd) * m_inject_mult;
        }
 
        [[nodiscard]] inline bool perBoxInjection () const override { return m_perbox; }
        [[nodiscard]] inline int injectBoxCount () const override { return m_inject_num_sd; }
        [[nodiscard]] inline amrex::Real injectMultiplicity () const override { return m_inject_mult; }
        [[nodiscard]] inline unsigned int injectSeed () const override { return m_inject_seed; }
 
};
 
/*! \brief Super-droplets initialization structure */
class SDInitialization : public SDInitProperties
{
    public:
 
        virtual ~SDInitialization() = default;
 
        /*!< Initial number density of super-droplets */
        amrex::Real m_numdens_sd_init = -1;
 
        /*! read super-droplets initialization parameters */
        void readInputs ( SDInputs&,
                          const std::string&,
                          const amrex::Geometry&,
                          const MatVec&,
                          const MatVec& ) override
        {
            amrex::Abort("SDInjection::readInputs(): Do not use this interface");
        }
 
        /*! \brief Read super-droplet initialization parameters from input file
         *
         * This function reads initialization-specific parameters including
         * distribution types, particle counts, and sizing parameters.
         *
         * \param[in] a_in Two-tier input resolver
         * \param[in] a_geom Simulation geometry information
         * \param[in] a_species_mat Vector of species material properties
         * \param[in] a_aerosol_mat Vector of aerosol material properties
         */
        void readInputs ( SDInputs& a_in,
                          const amrex::Geometry& a_geom,
                          const MatVec& a_species_mat,
                          const MatVec& a_aerosol_mat );
 
        /*! print super-droplets initialization parameters to screen */
        void printParameters ( const MatVec&, const MatVec& ) const override;
 
        /*! Compute number of super-droplets per grid cell */
        [[nodiscard]] inline int numSDPerCell (const amrex::Real a_dv) const override
        {
            int num_sd_per_cell = 0;
            if (m_numdens_sd_init >= 0) {
                num_sd_per_cell = static_cast<int>(std::ceil(m_numdens_sd_init*a_dv));
            } else {
                num_sd_per_cell = this->m_ppc;
            }
            return num_sd_per_cell;
        }
 
        /*! Compute number of physical particles per grid cell */
        [[nodiscard]] inline amrex::Real numParticlesPerCell (const amrex::Real a_dv) const override
        {
            amrex::Real num_par_per_cell = zero;
            if (this->m_numdens >= 0) {
                num_par_per_cell = std::ceil(this->m_numdens*a_dv);
            } else {
                num_par_per_cell = 1;
            }
            return num_par_per_cell;
        }
 
};
 
#endif