/******************************************************************************* * This file is part of SWIFT. * Copyright (c) 2016 Matthieu Schaller (schaller@strw.leidenuniv.nl) * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU Lesser General Public License as published * by the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program. If not, see . * ******************************************************************************/ /** * @file src/cooling/grackle/cooling.c * @brief Cooling using the GRACKLE 3.1.1 library. */ #include /* Include header */ #include "cooling.h" /* Some standard headers. */ #include #include #include /* The grackle library itself */ #include /* Local includes. */ #include "chemistry.h" #include "cooling_io.h" #include "entropy_floor.h" #include "error.h" #include "hydro.h" #include "parser.h" #include "part.h" #include "physical_constants.h" #include "units.h" /* need to rework (and check) code if changed */ #define GRACKLE_NPART 1 #define GRACKLE_RANK 3 gr_float cooling_new_energy(const struct phys_const* phys_const, const struct unit_system* us, const struct cosmology* cosmo, const struct hydro_props* hydro_properties, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp, double dt, double dt_therm); gr_float cooling_time(const struct phys_const* phys_const, const struct unit_system* us, const struct hydro_props* hydro_properties, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp); double cooling_get_physical_density( const struct part* p, const struct cosmology* cosmo, const struct cooling_function_data* cooling); /** * @brief Record the time when cooling was switched off for a particle. * * @param p #part data. * @param xp Pointer to the #xpart data. * @param time The time when the cooling was switched off. */ INLINE void cooling_set_part_time_cooling_off(struct part* p, struct xpart* xp, const double time) { xp->cooling_data.time_last_event = time; } /** * @brief Common operations performed on the cooling function at a * given time-step or redshift. * * @param phys_const The #phys_const. * @param cosmo The current cosmological model. * @param pressure_floor Properties of the pressure floor. * @param cooling The #cooling_function_data used in the run. * @param s The #space containing all the particles. * @param time The current system time */ void cooling_update(const struct phys_const* phys_const, const struct cosmology* cosmo, const struct pressure_floor_props* pressure_floor, struct cooling_function_data* cooling, struct space* s, const double time) { /* set current time */ if (cooling->redshift == -1) cooling->units.a_value = cosmo->a; else cooling->units.a_value = 1. / (1. + cooling->redshift); } /** * @brief Print the chemical network * * @param xp The #xpart to print */ void cooling_print_fractions(const struct xpart* restrict xp) { const struct cooling_xpart_data tmp = xp->cooling_data; #if COOLING_GRACKLE_MODE > 0 message("HI %g, HII %g, HeI %g, HeII %g, HeIII %g, e %g", tmp.HI_frac, tmp.HII_frac, tmp.HeI_frac, tmp.HeII_frac, tmp.HeIII_frac, tmp.e_frac); #endif #if COOLING_GRACKLE_MODE > 1 message("HM %g, H2I %g, H2II %g", tmp.HM_frac, tmp.H2I_frac, tmp.H2II_frac); #endif #if COOLING_GRACKLE_MODE > 2 message("DI %g, DII %g, HDI %g", tmp.DI_frac, tmp.DII_frac, tmp.HDI_frac); #endif message("Metal: %g", tmp.metal_frac); } /** * @brief Check if the difference of a given field is lower than limit * * @param xp First #xpart * @param old Second #xpart * @param field The field to check * @param limit Difference limit * * @return 0 if diff > limit */ #define cooling_check_field(xp, old, field, limit) \ ({ \ float tmp = xp->cooling_data.field - old->cooling_data.field; \ tmp = fabs(tmp) / xp->cooling_data.field; \ if (tmp > limit) return 0; \ }) /** * @brief Check if difference between two particles is lower than a given value * * @param xp One of the #xpart * @param old The other #xpart * @param limit The difference limit */ int cooling_converged(const struct xpart* restrict xp, const struct xpart* restrict old, const float limit) { #if COOLING_GRACKLE_MODE > 0 cooling_check_field(xp, old, HI_frac, limit); cooling_check_field(xp, old, HII_frac, limit); cooling_check_field(xp, old, HeI_frac, limit); cooling_check_field(xp, old, HeII_frac, limit); cooling_check_field(xp, old, HeIII_frac, limit); cooling_check_field(xp, old, e_frac, limit); #endif #if COOLING_GRACKLE_MODE > 1 cooling_check_field(xp, old, HM_frac, limit); cooling_check_field(xp, old, H2I_frac, limit); cooling_check_field(xp, old, H2II_frac, limit); #endif #if COOLING_GRACKLE_MODE > 2 cooling_check_field(xp, old, DI_frac, limit); cooling_check_field(xp, old, DII_frac, limit); cooling_check_field(xp, old, HDI_frac, limit); #endif return 1; } /** * @brief Compute equilibrium fraction * * @param phys_const The #phys_const. * @param us The #unit_system. * @param hydro_properties The #hydro_props. * @param cosmo The #cosmology * @param cooling The properties of the cooling function. * @param p Pointer to the particle data. * @param xp Pointer to the extended particle data. */ void cooling_compute_equilibrium(const struct phys_const* phys_const, const struct unit_system* us, const struct hydro_props* hydro_properties, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp) { return; } /** * @brief Sets the cooling properties of the (x-)particles to a valid start * state. * * @param phys_const The #phys_const. * @param us The #unit_system. * @param hydro_props The #hydro_props. * @param cosmo The #cosmology. * @param cooling The properties of the cooling function. * @param p Pointer to the particle data. * @param xp Pointer to the extended particle data. */ void cooling_first_init_part(const struct phys_const* phys_const, const struct unit_system* us, const struct hydro_props* hydro_props, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp) { xp->cooling_data.radiated_energy = 0.f; xp->cooling_data.time_last_event = -cooling->thermal_time; #if COOLING_GRACKLE_MODE >= 1 gr_float zero = 1.e-20; /* NOTE: if the ratio with respect to hydrogen is given, use it. Instead, * we assume neutral gas. * A better determination of the abundances can be done in * cooling_post_init_part */ /* Compute nH (formally divided by the gas density and assuming the proton * mass to be one) */ double nH = 1.0; if (grackle_data != NULL) { nH = grackle_data->HydrogenFractionByMass; } /* Compute nHe (formally divided by the gas density and assuming the proton * mass to be one) */ double nHe = 0.0; if (grackle_data != NULL) { nHe = (1.f - grackle_data->HydrogenFractionByMass) / 4.f; } /* Electron density */ double ne = zero; /* Sum of mass fraction (to test its consistency) */ double Xtot = 0.f; /* primordial chemistry >= 1 */ /* Hydrogen I */ if (cooling->initial_nHII_to_nH_ratio >= 0.f) xp->cooling_data.HI_frac = nH * (1.f - cooling->initial_nHII_to_nH_ratio); else xp->cooling_data.HI_frac = nH; Xtot += xp->cooling_data.HI_frac; /* Hydrogen II */ if (cooling->initial_nHII_to_nH_ratio >= 0.f) { double nHII = nH * cooling->initial_nHII_to_nH_ratio; xp->cooling_data.HII_frac = nHII; ne += nHII; } else xp->cooling_data.HII_frac = zero; Xtot += xp->cooling_data.HII_frac; /* Helium I */ if (cooling->initial_nHeI_to_nH_ratio >= 0.f) { double nHeI = nH * cooling->initial_nHeI_to_nH_ratio; xp->cooling_data.HeI_frac = nHeI * 4.f; } else xp->cooling_data.HeI_frac = nHe * 4.f; Xtot += xp->cooling_data.HeI_frac; /* Helium II */ if (cooling->initial_nHeII_to_nH_ratio >= 0.f) { double nHeII = nH * cooling->initial_nHeII_to_nH_ratio; xp->cooling_data.HeII_frac = nHeII * 4.f; ne += nHeII; } else xp->cooling_data.HeII_frac = zero; Xtot += xp->cooling_data.HeII_frac; /* Helium III */ if (cooling->initial_nHeIII_to_nH_ratio >= 0.f) { double nHeIII = nH * cooling->initial_nHeIII_to_nH_ratio; xp->cooling_data.HeIII_frac = nHeIII * 4.f; ne += 2.f * nHeIII; } else xp->cooling_data.HeIII_frac = zero; Xtot += xp->cooling_data.HeIII_frac; /* electron mass fraction (multiplied by the proton mass (Grackle convention) */ xp->cooling_data.e_frac = ne; #endif // MODE >= 1 #if COOLING_GRACKLE_MODE >= 2 /* primordial chemistry >= 2 */ /* Hydrogen- */ if (cooling->initial_nHM_to_nH_ratio >= 0.f) { double nHM = nH * cooling->initial_nHM_to_nH_ratio; xp->cooling_data.HM_frac = nHM; ne -= nHM; } else xp->cooling_data.HM_frac = zero; Xtot += xp->cooling_data.HM_frac; /* H2I */ if (cooling->initial_nH2I_to_nH_ratio >= 0.f) { double nH2I = nH * cooling->initial_nH2I_to_nH_ratio; xp->cooling_data.H2I_frac = nH2I * 2.f; } else xp->cooling_data.H2I_frac = zero; Xtot += xp->cooling_data.H2I_frac; /* H2II */ if (cooling->initial_nH2II_to_nH_ratio >= 0.f) { double nH2II = nH * cooling->initial_nH2II_to_nH_ratio; xp->cooling_data.H2II_frac = nH2II * 2.f; ne += nH2II; } else xp->cooling_data.H2II_frac = zero; Xtot += xp->cooling_data.H2II_frac; /* electron mass fraction (multiplied by the proton mass (Grackle convention) */ xp->cooling_data.e_frac = ne; #endif // MODE >= 2 #if COOLING_GRACKLE_MODE >= 3 /* primordial chemistry >= 3 */ /* Deuterium I */ if (cooling->initial_nDI_to_nH_ratio >= 0.f) { double nDI = nH * cooling->initial_nDI_to_nH_ratio; xp->cooling_data.DI_frac = nDI * 2.f; } else { if (grackle_data != NULL) { xp->cooling_data.DI_frac = grackle_data->DeuteriumToHydrogenRatio * grackle_data->HydrogenFractionByMass; } } Xtot += xp->cooling_data.DI_frac; /* Deuterium II */ if (cooling->initial_nDII_to_nH_ratio >= 0.f) { double nDII = nH * cooling->initial_nDII_to_nH_ratio; xp->cooling_data.DII_frac = nDII * 2.f; ne += nDII; } else xp->cooling_data.DII_frac = zero; Xtot += xp->cooling_data.DII_frac; /* HD I */ if (cooling->initial_nHDI_to_nH_ratio >= 0.f) { double nHDI = nH * cooling->initial_nHDI_to_nH_ratio; xp->cooling_data.HDI_frac = nHDI * 3.f; } else xp->cooling_data.HDI_frac = zero; Xtot += xp->cooling_data.HDI_frac; /* electron mass fraction (multiplied by the proton mass (Grackle convention) */ xp->cooling_data.e_frac = ne; if (fabs(Xtot - 1.0) > 1e-3) error("Got total mass fraction of gas = %.6g", Xtot); #endif // MODE >= 3 } /** * @brief Sets the cooling properties of the (x-)particles to a valid start * state. The function requires the density to be defined and thus must * be called after its computation. * * @param phys_const The #phys_const. * @param us The #unit_system. * @param hydro_props The #hydro_props. * @param cosmo The #cosmology. * @param cooling The properties of the cooling function. * @param p Pointer to the particle data. * @param xp Pointer to the extended particle data. */ void cooling_post_init_part(const struct phys_const* phys_const, const struct unit_system* us, const struct hydro_props* hydro_props, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp) { // const float rho = hydro_get_physical_density(p, cosmo); // const float energy = hydro_get_physical_internal_energy(p, xp, cosmo); // message("rho = %g energy = %g",rho,energy); #if COOLING_GRACKLE_MODE > 0 /* The function below currently does nothing. Will have to be updated. */ cooling_compute_equilibrium(phys_const, us, hydro_props, cosmo, cooling, p, xp); #endif } /** * @brief Returns the total radiated energy by this particle. * * @param xp The extended particle data */ float cooling_get_radiated_energy(const struct xpart* xp) { return xp->cooling_data.radiated_energy; } /** * @brief Prints the properties of the cooling model to stdout. * * @param cooling The properties of the cooling function. */ void cooling_print_backend(const struct cooling_function_data* cooling) { if (engine_rank != 0) { return; } message("Cooling function is 'Grackle'."); message("Using Grackle = %i", cooling->chemistry_data.use_grackle); message("Chemical network = %i", cooling->chemistry_data.primordial_chemistry); message("CloudyTable = %s", cooling->cloudy_table); message("Redshift = %g", cooling->redshift); message("UV background = %d", cooling->with_uv_background); message("Metal cooling = %i", cooling->chemistry_data.metal_cooling); message("Self Shielding = %i", cooling->self_shielding_method); message("Maximal density = %e", cooling->cooling_density_max); if (cooling->self_shielding_method == -1) { message("Self Shelding density = %g", cooling->self_shielding_threshold); } message("Thermal time = %g", cooling->thermal_time); message("Specific Heating Rates = %g", cooling->specific_heating_rates); message("Volumetric Heating Rates = %g", cooling->volumetric_heating_rates); message("grackle_chemistry_data.RT_heating_rate = %g", cooling->RT_heating_rate); message("grackle_chemistry_data.RT_HI_ionization_rate = %g", cooling->RT_HI_ionization_rate); message("grackle_chemistry_data.RT_HeI_ionization_rate = %g", cooling->RT_HeI_ionization_rate); message("grackle_chemistry_data.RT_HeII_ionization_rate = %g", cooling->RT_HeII_ionization_rate); message("grackle_chemistry_data.RT_H2_dissociation_rate = %g", cooling->RT_H2_dissociation_rate); message("cooling.initial_nHII_to_nH_ratio= %g", cooling->initial_nHII_to_nH_ratio); message("cooling.initial_nHeI_to_nH_ratio= %g", cooling->initial_nHeI_to_nH_ratio); message("cooling.initial_nHeII_to_nH_ratio= %g", cooling->initial_nHeII_to_nH_ratio); message("cooling.initial_nHeIII_to_nH_ratio= %g", cooling->initial_nHeIII_to_nH_ratio); message("cooling.initial_nDI_to_nH_ratio= %g", cooling->initial_nDI_to_nH_ratio); message("cooling.initial_nDII_to_nH_ratio= %g", cooling->initial_nDII_to_nH_ratio); message("cooling.initial_nHM_to_nH_ratio= %g", cooling->initial_nHM_to_nH_ratio); message("cooling.initial_nH2I_to_nH_ratio= %g", cooling->initial_nH2I_to_nH_ratio); message("cooling.initial_nH2II_to_nH_ratio= %g", cooling->initial_nH2II_to_nH_ratio); message("cooling.initial_nHDI_to_nH_ratio= %g", cooling->initial_nHDI_to_nH_ratio); message("Units:"); message("\tComoving = %i", cooling->units.comoving_coordinates); message("\tLength = %g", cooling->units.length_units); message("\tDensity = %g", cooling->units.density_units); message("\tTime = %g", cooling->units.time_units); message("\tScale Factor = %g (units: %g)", cooling->units.a_value, cooling->units.a_units); message("Grackle parameters:"); message("grackle_chemistry_data.use_grackle = %d", cooling->chemistry_data.use_grackle); message("grackle_chemistry_data.with_radiative_cooling %d", cooling->chemistry_data.with_radiative_cooling); message("grackle_chemistry_data.primordial_chemistry = %d", cooling->chemistry_data.primordial_chemistry); message("grackle_chemistry_data.three_body_rate = %d", cooling->chemistry_data.three_body_rate); message("grackle_chemistry_data.cmb_temperature_floor = %d", cooling->chemistry_data.cmb_temperature_floor); message("grackle_chemistry_data.cie_cooling = %d", cooling->chemistry_data.cie_cooling); message("grackle_chemistry_data.dust_chemistry = %d", cooling->chemistry_data.dust_chemistry); message("grackle_chemistry_data.metal_cooling = %d", cooling->chemistry_data.metal_cooling); message("grackle_chemistry_data.UVbackground = %d", cooling->chemistry_data.UVbackground); message("grackle_chemistry_data.CaseBRecombination = %d", cooling->chemistry_data.CaseBRecombination); message("grackle_chemistry_data.grackle_data_file = %s", cooling->chemistry_data.grackle_data_file); message("grackle_chemistry_data.use_radiative_transfer = %d", cooling->chemistry_data.use_radiative_transfer); message("grackle_chemistry_data.use_volumetric_heating_rate = %d", cooling->chemistry_data.use_volumetric_heating_rate); message("grackle_chemistry_data.use_specific_heating_rate = %d", cooling->chemistry_data.use_specific_heating_rate); message("grackle_chemistry_data.self_shielding_method = %d", cooling->chemistry_data.self_shielding_method); message("grackle_chemistry_data.HydrogenFractionByMass = %.3g", cooling->chemistry_data.HydrogenFractionByMass); message("grackle_chemistry_data.Gamma = %.6g", cooling->chemistry_data.Gamma); message("grackle_chemistry_data.cie_cooling = %d", cooling->chemistry_data.cie_cooling); message("grackle_chemistry_data.three_body_rate = %d", cooling->chemistry_data.three_body_rate); message("grackle_chemistry_data.h2_on_dust = %d", cooling->chemistry_data.h2_on_dust); message("grackle_chemistry_data.use_dust_density_field = %d", cooling->chemistry_data.use_dust_density_field); message("grackle_chemistry_data.local_dust_to_gas_ratio = %.3g", cooling->chemistry_data.local_dust_to_gas_ratio); } /** * @brief copy a #xpart to the grackle data * * @param data The grackle_field_data structure from grackle. * @param p The #part * @param xp The #xpart * @param rho Particle density */ #if COOLING_GRACKLE_MODE > 0 void cooling_copy_to_grackle1(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { /* HI */ species_densities[0] = xp->cooling_data.HI_frac * rho; data->HI_density = &species_densities[0]; /* HII */ species_densities[1] = xp->cooling_data.HII_frac * rho; data->HII_density = &species_densities[1]; /* HeI */ species_densities[2] = xp->cooling_data.HeI_frac * rho; data->HeI_density = &species_densities[2]; /* HeII */ species_densities[3] = xp->cooling_data.HeII_frac * rho; data->HeII_density = &species_densities[3]; /* HeIII */ species_densities[4] = xp->cooling_data.HeIII_frac * rho; data->HeIII_density = &species_densities[4]; /* HeII */ species_densities[5] = xp->cooling_data.e_frac * rho; data->e_density = &species_densities[5]; } #else void cooling_copy_to_grackle1(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { data->HI_density = NULL; data->HII_density = NULL; data->HeI_density = NULL; data->HeII_density = NULL; data->HeIII_density = NULL; data->e_density = NULL; } #endif /** * @brief copy a #xpart to the grackle data * * @param data The grackle_field_data structure from grackle. * @param p The #part * @param xp The #xpart * @param rho Particle density */ #if COOLING_GRACKLE_MODE > 1 void cooling_copy_to_grackle2(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { /* HM */ species_densities[6] = xp->cooling_data.HM_frac * rho; data->HM_density = &species_densities[6]; /* H2I */ species_densities[7] = xp->cooling_data.H2I_frac * rho; data->H2I_density = &species_densities[7]; /* H2II */ species_densities[8] = xp->cooling_data.H2II_frac * rho; data->H2II_density = &species_densities[8]; } #else void cooling_copy_to_grackle2(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { data->HM_density = NULL; data->H2I_density = NULL; data->H2II_density = NULL; } #endif /** * @brief copy a #xpart to the grackle data * * @param data The grackle_field_data structure from grackle. * @param p The #part * @param xp The #xpart * @param rho Particle density */ #if COOLING_GRACKLE_MODE > 2 void cooling_copy_to_grackle3(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { /* DI */ species_densities[9] = xp->cooling_data.DI_frac * rho; data->DI_density = &species_densities[9]; /* DII */ species_densities[10] = xp->cooling_data.DII_frac * rho; data->DII_density = &species_densities[10]; /* HDI */ species_densities[11] = xp->cooling_data.HDI_frac * rho; data->HDI_density = &species_densities[11]; } #else void cooling_copy_to_grackle3(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12]) { data->DI_density = NULL; data->DII_density = NULL; data->HDI_density = NULL; } #endif /** * @brief copy the grackle data to a #xpart * * @param data The grackle_field_data structure from grackle. * @param p The #part. * @param xp The #xpart. * @param rho The particle density. */ #if COOLING_GRACKLE_MODE > 0 void cooling_copy_from_grackle1(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) { /* HI */ xp->cooling_data.HI_frac = *data->HI_density / rho; /* HII */ xp->cooling_data.HII_frac = *data->HII_density / rho; /* HeI */ xp->cooling_data.HeI_frac = *data->HeI_density / rho; /* HeII */ xp->cooling_data.HeII_frac = *data->HeII_density / rho; /* HeIII */ xp->cooling_data.HeIII_frac = *data->HeIII_density / rho; /* e */ xp->cooling_data.e_frac = *data->e_density / rho; } #else void cooling_copy_from_grackle1(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) {} #endif /** * @brief copy the grackle data to a #xpart. * * @param data The grackle_field_data structure from grackle. * @param p The #part. * @param xp The #xpart. * @param rho The particle density. */ #if COOLING_GRACKLE_MODE > 1 void cooling_copy_from_grackle2(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) { /* HM */ xp->cooling_data.HM_frac = *data->HM_density / rho; /* H2I */ xp->cooling_data.H2I_frac = *data->H2I_density / rho; /* H2II */ xp->cooling_data.H2II_frac = *data->H2II_density / rho; } #else void cooling_copy_from_grackle2(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) {} #endif /** * @brief copy the grackle data to a #xpart * * @param data The grackle_field_data structure from grackle. * @param p The #part. * @param xp The #xpart. * @param rho The particle density. */ #if COOLING_GRACKLE_MODE > 2 void cooling_copy_from_grackle3(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) { /* DI */ xp->cooling_data.DI_frac = *data->DI_density / rho; /* DII */ xp->cooling_data.DII_frac = *data->DII_density / rho; /* HDI */ xp->cooling_data.HDI_frac = *data->HDI_density / rho; } #else void cooling_copy_from_grackle3(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho) {} #endif /** * @brief copy a #xpart to the grackle data * * Warning this function creates some variable, therefore the grackle call * should be in a block that still has the variables. * * @param data The grackle_field_data structure from grackle. * @param p The #part. * @param xp The #xpart. * @param rho The particle density. */ void cooling_copy_to_grackle(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, gr_float species_densities[12], const struct cooling_function_data* cooling, const struct phys_const* phys_const) { const float time_units = cooling->units.time_units; cooling_copy_to_grackle1(data, p, xp, rho, species_densities); cooling_copy_to_grackle2(data, p, xp, rho, species_densities); cooling_copy_to_grackle3(data, p, xp, rho, species_densities); if (cooling->chemistry_data.use_volumetric_heating_rate) { gr_float* volumetric_heating_rate = (gr_float*)malloc(sizeof(gr_float)); *volumetric_heating_rate = cooling->volumetric_heating_rates; data->volumetric_heating_rate = volumetric_heating_rate; } if (cooling->chemistry_data.use_specific_heating_rate) { gr_float* specific_heating_rate = (gr_float*)malloc(sizeof(gr_float)); *specific_heating_rate = cooling->specific_heating_rates; data->specific_heating_rate = specific_heating_rate; } if (cooling->chemistry_data.use_radiative_transfer) { /* heating rate */ gr_float* RT_heating_rate = (gr_float*)malloc(sizeof(gr_float)); *RT_heating_rate = cooling->RT_heating_rate; /* Note to self: * If cooling->RT_heating_rate is computed properly, i.e. using * the HI density, and then being HI density dependent, we need * to divide it as follow. If it is assumed to be already normed * as it is so when providing it via some parameters, we keep it * unchanged. */ /* Grackle wants heating rate in units of / nHI_cgs */ // const double nHI_cgs = species_densities[0] // / phys_const->const_proton_mass // / pow(length_units,3); //*RT_heating_rate /= nHI_cgs; data->RT_heating_rate = RT_heating_rate; /* HI ionization rate */ gr_float* RT_HI_ionization_rate = (gr_float*)malloc(sizeof(gr_float)); *RT_HI_ionization_rate = cooling->RT_HI_ionization_rate; /* Grackle wants it in 1/internal_time_units */ *RT_HI_ionization_rate /= (1. / time_units); data->RT_HI_ionization_rate = RT_HI_ionization_rate; /* HeI ionization rate */ gr_float* RT_HeI_ionization_rate = (gr_float*)malloc(sizeof(gr_float)); *RT_HeI_ionization_rate = cooling->RT_HeI_ionization_rate; /* Grackle wants it in 1/internal_time_units */ *RT_HeI_ionization_rate /= (1. / time_units); data->RT_HeI_ionization_rate = RT_HeI_ionization_rate; /* HeII ionization rate */ gr_float* RT_HeII_ionization_rate = (gr_float*)malloc(sizeof(gr_float)); *RT_HeII_ionization_rate = cooling->RT_HeII_ionization_rate; /* Grackle wants it in 1/internal_time_units */ *RT_HeII_ionization_rate /= (1. / time_units); data->RT_HeII_ionization_rate = RT_HeII_ionization_rate; /* H2 ionization rate */ gr_float* RT_H2_dissociation_rate = (gr_float*)malloc(sizeof(gr_float)); *RT_H2_dissociation_rate = cooling->RT_H2_dissociation_rate; /* Grackle wants it in 1/internal_time_units */ *RT_H2_dissociation_rate /= (1. / time_units); data->RT_H2_dissociation_rate = RT_H2_dissociation_rate; } else { data->volumetric_heating_rate = NULL; data->specific_heating_rate = NULL; data->RT_heating_rate = NULL; data->RT_HI_ionization_rate = NULL; data->RT_HeI_ionization_rate = NULL; data->RT_HeII_ionization_rate = NULL; data->RT_H2_dissociation_rate = NULL; } gr_float* metal_density = (gr_float*)malloc(sizeof(gr_float)); *metal_density = chemistry_get_total_metal_mass_fraction_for_cooling(p) * rho; data->metal_density = metal_density; } /** * @brief copy a #xpart to the grackle data * * Warning this function creates some variable, therefore the grackle call * should be in a block that still has the variables. * * @param data The grackle_field_data structure from grackle. * @param p The #part. * @param xp The #xpart. * @param rho The particle density. */ void cooling_copy_from_grackle(grackle_field_data* data, const struct part* p, struct xpart* xp, gr_float rho, const struct cooling_function_data* cooling) { cooling_copy_from_grackle1(data, p, xp, rho); cooling_copy_from_grackle2(data, p, xp, rho); cooling_copy_from_grackle3(data, p, xp, rho); if (cooling->chemistry_data.use_volumetric_heating_rate) free(data->volumetric_heating_rate); if (cooling->chemistry_data.use_specific_heating_rate) free(data->specific_heating_rate); if (cooling->chemistry_data.use_radiative_transfer) { free(data->RT_heating_rate); free(data->RT_HI_ionization_rate); free(data->RT_HeI_ionization_rate); free(data->RT_HeII_ionization_rate); free(data->RT_H2_dissociation_rate); } free(data->metal_density); } /** * @brief Apply the self shielding (if needed) by turning on/off the UV * background. * * @param cooling The #cooling_function_data used in the run. * @param chemistry The chemistry_data structure from grackle. * @param p Pointer to the particle data. * @param cosmo The #cosmology. */ void cooling_apply_self_shielding( const struct cooling_function_data* restrict cooling, chemistry_data* restrict chemistry, const struct part* restrict p, const struct cosmology* cosmo) { /* Are we using self shielding or UV background? */ if (!cooling->with_uv_background || cooling->self_shielding_method >= 0) { return; } /* Are we in a self shielding regime? */ const float rho = hydro_get_physical_density(p, cosmo); if (rho > cooling->self_shielding_threshold) { chemistry->UVbackground = 0; } else { chemistry->UVbackground = 1; } } /** * @brief Compute the energy of a particle after dt and update the particle * chemistry data * * @param phys_const The physical constants in internal units. * @param us The internal system of units. * @param cosmo The #cosmology. * @param hydro_props The #hydro_props. * @param cooling The #cooling_function_data used in the run. * @param p Pointer to the particle data. * @param xp Pointer to the particle extra data * @param dt The time-step of this particle. * @param dt_therm The time-step operator used for thermal quantities. * * @return du / dt */ gr_float cooling_new_energy(const struct phys_const* phys_const, const struct unit_system* us, const struct cosmology* cosmo, const struct hydro_props* hydro_props, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp, double dt, double dt_therm) { /* set current time */ code_units units = cooling->units; chemistry_data chemistry_grackle = cooling->chemistry_data; chemistry_data_storage rates_grackle = cooling->chemistry_rates; /* initialize data */ grackle_field_data data; /* set values */ /* grid */ int grid_dimension[GRACKLE_RANK] = {GRACKLE_NPART, 1, 1}; int grid_start[GRACKLE_RANK] = {0, 0, 0}; int grid_end[GRACKLE_RANK] = {GRACKLE_NPART - 1, 0, 0}; data.grid_dx = 0.; data.grid_rank = GRACKLE_RANK; data.grid_dimension = grid_dimension; data.grid_start = grid_start; data.grid_end = grid_end; /* general particle data */ gr_float density = cooling_get_physical_density(p, cosmo, cooling); gr_float energy = hydro_get_physical_internal_energy(p, xp, cosmo) + dt_therm * hydro_get_physical_internal_energy_dt(p, cosmo); energy = max(energy, hydro_props->minimal_internal_energy); /* keep this array here so you can point to and from it in * copy to/from grackle */ gr_float species_densities[12]; /* initialize density */ data.density = &density; /* initialize energy */ data.internal_energy = &energy; /* grackle 3.0 doc: "Currently not used" */ data.x_velocity = NULL; data.y_velocity = NULL; data.z_velocity = NULL; /* copy to grackle structure */ cooling_copy_to_grackle(&data, p, xp, density, species_densities, cooling, phys_const); /* Apply the self shielding if requested */ cooling_apply_self_shielding(cooling, &chemistry_grackle, p, cosmo); /* solve chemistry */ if (local_solve_chemistry(&chemistry_grackle, &rates_grackle, &units, &data, dt) == 0) { error("Error in solve_chemistry."); } /* copy from grackle data to particle */ cooling_copy_from_grackle(&data, p, xp, density, cooling); return energy; } /** * @brief Compute the cooling time * * @param phys_const The physical constants in internal units. * @param us The internal system of units. * @param hydro_props The #hydro_props. * @param cosmo The #cosmology. * @param cooling The #cooling_function_data used in the run. * @param p Pointer to the particle data. * @param xp Pointer to the particle extra data * * @return cooling time */ gr_float cooling_time(const struct phys_const* phys_const, const struct unit_system* us, const struct hydro_props* hydro_props, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, struct xpart* xp) { /* set current time */ code_units units = cooling->units; /* initialize data */ grackle_field_data data; chemistry_data chemistry_grackle = cooling->chemistry_data; chemistry_data_storage rates_grackle = cooling->chemistry_rates; /* set values */ /* grid */ int grid_dimension[GRACKLE_RANK] = {GRACKLE_NPART, 1, 1}; int grid_start[GRACKLE_RANK] = {0, 0, 0}; int grid_end[GRACKLE_RANK] = {GRACKLE_NPART - 1, 0, 0}; data.grid_rank = GRACKLE_RANK; data.grid_dimension = grid_dimension; data.grid_start = grid_start; data.grid_end = grid_end; /* general particle data */ gr_float density = cooling_get_physical_density(p, cosmo, cooling); gr_float energy = hydro_get_physical_internal_energy(p, xp, cosmo); energy = max(energy, hydro_props->minimal_internal_energy); /* initialize density */ data.density = &density; /* initialize energy */ data.internal_energy = &energy; /* grackle 3.0 doc: "Currently not used" */ data.x_velocity = NULL; data.y_velocity = NULL; data.z_velocity = NULL; gr_float species_densities[12]; /* copy data from particle to grackle data */ cooling_copy_to_grackle(&data, p, xp, density, species_densities, cooling, phys_const); /* Apply the self shielding if requested */ cooling_apply_self_shielding(cooling, &chemistry_grackle, p, cosmo); /* Compute cooling time */ gr_float cooling_time; if (local_calculate_cooling_time(&chemistry_grackle, &rates_grackle, &units, &data, &cooling_time) == 0) { error("Error in calculate_cooling_time."); } /* copy from grackle data to particle */ cooling_copy_from_grackle(&data, p, xp, density, cooling); /* compute rate */ return cooling_time; } /** * @brief Apply the cooling function to a particle. * * @param phys_const The physical constants in internal units. * @param us The internal system of units. * @param cosmo The current cosmological model. * @param hydro_props The #hydro_props. * @param floor_props Properties of the entropy floor. * @param pressure_floor Properties of the pressure floor. * @param cooling The #cooling_function_data used in the run. * @param p Pointer to the particle data. * @param xp Pointer to the particle' extended data. * @param dt The time-step of this particle. * @param dt_therm The time-step operator used for thermal quantities. * @param time The current time (since the Big Bang or start of the run) in * internal units. */ void cooling_cool_part(const struct phys_const* phys_const, const struct unit_system* us, const struct cosmology* cosmo, const struct hydro_props* hydro_props, const struct entropy_floor_properties* floor_props, const struct pressure_floor_props* pressure_floor, const struct cooling_function_data* cooling, struct part* p, struct xpart* xp, const double dt, const double dt_therm, const double time) { /* Nothing to do here? */ if (dt == 0.) return; /* Current energy */ const float u_old = hydro_get_physical_internal_energy(p, xp, cosmo); /* Energy after the adiabatic cooling */ float u_ad_before = u_old + dt_therm * hydro_get_physical_internal_energy_dt(p, cosmo); /* We now need to check that we are not going to go below any of the limits */ const double u_minimal = hydro_props->minimal_internal_energy; if (u_ad_before < u_minimal) { u_ad_before = u_minimal; const float du_dt = (u_ad_before - u_old) / dt_therm; hydro_set_physical_internal_energy_dt(p, cosmo, du_dt); } /* Calculate energy after dt */ gr_float u_new = 0; /* Is the cooling turn off */ if (time - xp->cooling_data.time_last_event < cooling->thermal_time) { u_new = u_ad_before; } else { u_new = cooling_new_energy(phys_const, us, cosmo, hydro_props, cooling, p, xp, dt, dt_therm); } /* Get the change in internal energy due to hydro forces */ float hydro_du_dt = hydro_get_physical_internal_energy_dt(p, cosmo); /* We now need to check that we are not going to go below any of the limits */ u_new = max(u_new, u_minimal); /* Calculate the cooling rate */ float cool_du_dt = (u_new - u_ad_before) / dt_therm; float du_dt = cool_du_dt + hydro_du_dt; /* Update the internal energy time derivative */ hydro_set_physical_internal_energy_dt(p, cosmo, du_dt); /* Store the radiated energy */ xp->cooling_data.radiated_energy -= hydro_get_mass(p) * cool_du_dt * dt_therm; } /** * @brief Compute the temperature of a #part based on the cooling function. * * @param phys_const #phys_const data structure. * @param hydro_props The properties of the hydro scheme. * @param us The internal system of units. * @param cosmo #cosmology data structure. * @param cooling #cooling_function_data struct. * @param p #part data. * @param xp Pointer to the #xpart data. */ float cooling_get_temperature(const struct phys_const* phys_const, const struct hydro_props* hydro_props, const struct unit_system* us, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, const struct xpart* xp) { // TODO use the grackle library /* Physical constants */ const double m_H = phys_const->const_proton_mass; const double k_B = phys_const->const_boltzmann_k; /* Gas properties */ const double T_transition = hydro_props->hydrogen_ionization_temperature; const double mu_neutral = hydro_props->mu_neutral; const double mu_ionised = hydro_props->mu_ionised; /* Particle temperature */ const double u = hydro_get_drifted_physical_internal_energy(p, cosmo); /* Temperature over mean molecular weight */ const double T_over_mu = hydro_gamma_minus_one * u * m_H / k_B; /* Are we above or below the HII -> HI transition? */ if (T_over_mu > (T_transition + 1.) / mu_ionised) return T_over_mu * mu_ionised; else if (T_over_mu < (T_transition - 1.) / mu_neutral) return T_over_mu * mu_neutral; else return T_transition; } /** * @brief Compute the y-Compton contribution of a #part based on the cooling * function. * * Does not exist in this model. We return 0. * * @param phys_const #phys_const data structure. * @param hydro_props The properties of the hydro scheme. * @param us The internal system of units. * @param cosmo #cosmology data structure. * @param cooling #cooling_function_data struct. * @param p #part data. * @param xp Pointer to the #xpart data. */ double Cooling_get_ycompton(const struct phys_const* phys_const, const struct hydro_props* hydro_props, const struct unit_system* us, const struct cosmology* cosmo, const struct cooling_function_data* cooling, const struct part* p, const struct xpart* xp) { return 0.; } /** * @brief Computes the cooling time-step. * * We return FLT_MAX so as to impose no limit on the time-step. * * @param cooling The #cooling_function_data used in the run. * @param phys_const The physical constants in internal units. * @param cosmo The #cosmology. * @param us The internal system of units. * @param hydro_props The #hydro_props. * @param p Pointer to the particle data. * @param xp Pointer to the particle extra data */ float cooling_timestep(const struct cooling_function_data* cooling, const struct phys_const* phys_const, const struct cosmology* cosmo, const struct unit_system* us, const struct hydro_props* hydro_props, const struct part* p, const struct xpart* xp) { return FLT_MAX; } /** * @brief Split the coolong content of a particle into n pieces * * @param p The #part. * @param xp The #xpart. * @param n The number of pieces to split into. */ void cooling_split_part(struct part* p, struct xpart* xp, double n) { error("Loic: to be implemented"); } /** * @brief Initialises the cooling unit system. * * @param us The current internal system of units. * @param phys_const The #phys_const. * @param cooling The cooling properties to initialize */ void cooling_init_units(const struct unit_system* us, const struct phys_const* phys_const, struct cooling_function_data* cooling) { /* These are conversions from code units to cgs. */ /* first cosmo */ cooling->units.a_units = 1.0; // units for the expansion factor cooling->units.a_value = 1.0; /* We assume here all physical quantities to be in proper coordinate (not comobile) */ cooling->units.comoving_coordinates = 0; /* then units */ cooling->units.density_units = units_cgs_conversion_factor(us, UNIT_CONV_DENSITY); cooling->units.length_units = units_cgs_conversion_factor(us, UNIT_CONV_LENGTH); cooling->units.time_units = units_cgs_conversion_factor(us, UNIT_CONV_TIME); cooling->units.velocity_units = units_cgs_conversion_factor(us, UNIT_CONV_VELOCITY); /* Self shielding */ if (cooling->self_shielding_method == -1) { cooling->self_shielding_threshold *= phys_const->const_proton_mass * pow(units_cgs_conversion_factor(us, UNIT_CONV_LENGTH), 3.); } } /** * @brief Initialises Grackle. * * @param cooling The cooling properties to initialize */ void cooling_init_grackle(struct cooling_function_data* cooling) { #ifdef SWIFT_DEBUG_CHECKS /* Enable verbose for grackle for rank 0 only. */ if (engine_rank == 0) { grackle_verbose = 1; } #endif chemistry_data* chemistry = &cooling->chemistry_data; /* Create a chemistry object for parameters and rate data. */ if (set_default_chemistry_parameters(chemistry) == 0) { error("Error in set_default_chemistry_parameters."); } // Set parameter values for chemistry. chemistry->use_grackle = 1; chemistry->with_radiative_cooling = 1; /* molecular network with H, He, D From Cloudy table */ chemistry->primordial_chemistry = cooling->primordial_chemistry; chemistry->metal_cooling = cooling->with_metal_cooling; chemistry->UVbackground = cooling->with_uv_background; chemistry->three_body_rate = cooling->H2_three_body_rate; chemistry->cmb_temperature_floor = cooling->cmb_temperature_floor; chemistry->cie_cooling = cooling->H2_cie_cooling; chemistry->h2_on_dust = cooling->H2_on_dust; chemistry->grackle_data_file = cooling->cloudy_table; if (cooling->local_dust_to_gas_ratio > 0) chemistry->local_dust_to_gas_ratio = cooling->local_dust_to_gas_ratio; /* radiative transfer */ #if COOLING_GRACKLE_MODE == 0 if (cooling->use_radiative_transfer) error( "The parameter use_radiative_transfer cannot be set to 1 in Grackle " "mode 0 !"); #endif chemistry->use_radiative_transfer = cooling->use_radiative_transfer; if (cooling->volumetric_heating_rates > 0) chemistry->use_volumetric_heating_rate = 1; if (cooling->specific_heating_rates > 0) chemistry->use_specific_heating_rate = 1; /* hydrogen fraction by mass */ chemistry->HydrogenFractionByMass = cooling->HydrogenFractionByMass; /* use the Case B recombination rates */ chemistry->CaseBRecombination = 1; if (cooling->specific_heating_rates > 0 && cooling->volumetric_heating_rates > 0) error( "You should specified either the specific or the volumetric " "heating rates, not both"); /* self shielding */ if (cooling->self_shielding_method <= 0) chemistry->self_shielding_method = 0; else chemistry->self_shielding_method = cooling->self_shielding_method; if (local_initialize_chemistry_data(&cooling->chemistry_data, &cooling->chemistry_rates, &cooling->units) == 0) { error("Error in initialize_chemistry_data"); } } /** * @brief Initialises the cooling properties. * * @param parameter_file The parsed parameter file. * @param us The current internal system of units. * @param phys_const The physical constants in internal units. * @param hydro_props The properties of the hydro scheme. * @param cooling The cooling properties to initialize */ void cooling_init_backend(struct swift_params* parameter_file, const struct unit_system* us, const struct phys_const* phys_const, const struct hydro_props* hydro_props, struct cooling_function_data* cooling) { if (GRACKLE_NPART != 1) error("Grackle with multiple particles not implemented"); /* read parameters */ cooling_read_parameters(parameter_file, cooling, phys_const, us); /* Set up the units system. */ cooling_init_units(us, phys_const, cooling); /* Set up grackle */ cooling_init_grackle(cooling); } /** * @brief Clean-up the memory allocated for the cooling routines * * @param cooling the cooling data structure. */ void cooling_clean(struct cooling_function_data* cooling) { /* Clean up grackle data. This is a call to a grackle function */ local_free_chemistry_data(&cooling->chemistry_data, &cooling->chemistry_rates); } /** * @brief Write a cooling struct to the given FILE as a stream of bytes. * * Nothing to do beyond writing the structure from the stream. * * @param cooling the struct * @param stream the file stream */ void cooling_struct_dump(const struct cooling_function_data* cooling, FILE* stream) { restart_write_blocks((void*)cooling, sizeof(struct cooling_function_data), 1, stream, "cooling", "cooling function"); } /** * @brief Restore a hydro_props struct from the given FILE as a stream of * bytes. * * Nothing to do beyond reading the structure from the stream. * * @param cooling the struct * @param stream the file stream * @param cosmo #cosmology structure */ void cooling_struct_restore(struct cooling_function_data* cooling, FILE* stream, const struct cosmology* cosmo) { restart_read_blocks((void*)cooling, sizeof(struct cooling_function_data), 1, stream, NULL, "cooling function"); /* Set up grackle */ cooling_init_grackle(cooling); } /** * @brief Get the density of the #part. If the density is bigger than * cooling_density_max, then we floor the density to this value. * * This function ensures that we pass to grackle a density value that is not * to big to ensure good working of grackle. * * Note: This function is called in cooling_time() and cooling_new_energy(). * * @param p #part data. * @param cosmo #cosmology data structure. * @param cooling #cooling_function_data struct. */ double cooling_get_physical_density( const struct part* p, const struct cosmology* cosmo, const struct cooling_function_data* cooling) { const double part_density = hydro_get_physical_density(p, cosmo); const double cooling_max_density = cooling->cooling_density_max; #ifdef SWIFT_DEBUG_CHECKS if (cooling_max_density > 0.0 && part_density > cooling_max_density) { warning( "Gas particle %lld physical density (%e) is higher than the maximal " "physical density set in the parameter files (%e).", p->id, part_density, cooling_max_density); } #endif /* Maximal density cooling is defined */ if (cooling_max_density > 0.0) { return fminf(part_density, cooling_max_density); } /* else ( if cooling_max_density <= 0) we do not want to use a density threshold, then return the part density. */ return part_density; }