Add aerosol support for host model to couple to TChem using sparse solver (#91)

* add kappa

* update to solve for aerosols with cvode

* add kappa values to input file

* sparse solver working on cpu

* fix exec_space complaint in tines cvode version

* working cpu code

* cpu and gpu working

* add dtmin and max iterations

* clean up unused code. move cvode stats to function

* improve formatting

* general clean up

* add unit test regarding tchem driver interface code called from c

* fix bug in test. simplify the gas mechanism

* fix assertions for test

* fix issues with non initialized particle values

* improve clarity of tchem_driver test

* fix indent

* remove input files and reorganize test to use cb05+simpol files

* remove unused solver configuration options

* clean up solver settings. add verbose option for solver stats

* add comment regarding time

* add support for hipcc for driver test

* move constants outside parallel_for. minor format changes

* formatting

* add flag to print solver stats for test

Author: jcurtis2

src/core/TChem_AerosolModelData.cpp

@@ -85,7 +85,7 @@ int AerosolModelData::initChem(YAML::Node &root,
     // given the name of species return the YAML::NODE
     std::map<std::string, YAML::Node> gas_sp_info;
     // 2. get molecular weitghs and density of aerosol_species
-    std::vector<real_type> mw_aerosol_sp, density_aero_sp;
+    std::vector<real_type> mw_aerosol_sp, density_aero_sp, kappa_aero_sp;
     int i_aero_sp=0;
     // loops over species, only make map from aerosol species.
     // we assume that map of gas species was previously created in kmd.
@@ -104,6 +104,7 @@ int AerosolModelData::initChem(YAML::Node &root,
             //  std::cout <<"molecular weight" << item["molecular weight [kg mol-1]"]<<"\n";
              mw_aerosol_sp.push_back(item["molecular weight [kg mol-1]"].as<real_type>());
              density_aero_sp.push_back(item["density [kg m-3]"].as<real_type>());
+             kappa_aero_sp.push_back(item["kappa"].as<real_type>());
            }
         } else
         {
@@ -208,10 +209,13 @@ int AerosolModelData::initChem(YAML::Node &root,
     auto molecular_weights_host = molecular_weights_.view_host();
     aerosol_density_= real_type_1d_dual_view(do_not_init_tag("AMD::aerosol_density_"), nSpec_);
     auto aerosol_density_host = aerosol_density_.view_host();
+    aerosol_kappa_ = real_type_1d_dual_view(do_not_init_tag("AMD::kappa"), nSpec_);
+    auto aerosol_kappa_host = aerosol_kappa_.view_host();
     for (int i = 0; i < nSpec_; i++)
     {
       molecular_weights_host(i) = mw_aerosol_sp[i];
       aerosol_density_host(i) = density_aero_sp[i];
+      aerosol_kappa_host(i) = kappa_aero_sp[i];
     }
 
     molecular_weights_.modify_host();

src/core/TChem_AerosolModelData.hpp

@@ -38,8 +38,8 @@ namespace TChem {
   ordinal_type nConstSpec_gas_;
   // number of particles
   ordinal_type nParticles_{-1};
-  // aerosol molecular weights and density
-  real_type_1d_dual_view molecular_weights_, aerosol_density_;
+  // aerosol molecular weights, density and kappa
+  real_type_1d_dual_view molecular_weights_, aerosol_density_, aerosol_kappa_;
   simpol_phase_transfer_type_1d_dual_view simpol_params_;
   ordinal_type nSimpol_tran_;
 
@@ -93,6 +93,7 @@ namespace TChem {
 
     amcd_real_type_1d_view molecular_weights;
     amcd_real_type_1d_view aerosol_density;
+    amcd_real_type_1d_view aerosol_kappa;
 
    };
 
@@ -106,6 +107,7 @@ namespace TChem {
     data.nSimpol_tran=amd.nSimpol_tran_;
     data.molecular_weights = amd.molecular_weights_.template view<SpT>();
     data.aerosol_density = amd.aerosol_density_.template view<SpT>();
+    data.aerosol_kappa = amd.aerosol_kappa_.template view<SpT>();
     data.simpol_params = amd.simpol_params_.template view<SpT>();
   return data;
   }