add implementation and test for MOSAIC function gas_diffusivity

src/core/impl/TChem_Impl_MOSAIC.hpp

@@ -2137,6 +2137,16 @@ struct MOSAIC{
                 b_mtem(5,jA,jE) ))));
   } // fnlog_gamZ
 
+  KOKKOS_INLINE_FUNCTION static
+  void gas_diffusivity(const real_type& T_K,
+                       const real_type& P,
+                       const real_type& MW,
+                       const real_type& Vm,
+                       real_type& gas_diff) { 
+    gas_diff = (1.0e-3 * ats<real_type>::pow(T_K, 1.75) * ats<real_type>::sqrt(1.0/MW + 0.035))/
+                    (P * ats<real_type>::pow(ats<real_type>::pow(Vm, 0.333333) + 2.7189, 2.0));
+  } // gas_diffusivity
+
   KOKKOS_INLINE_FUNCTION static
   void fn_Keq(const real_type& Keq_298,
               const real_type& a,

src/verification/data_sets/mosaic/gas_diffusivity_input_ts_0.yaml

@@ -0,0 +1,9 @@
+
+TChem-atm:
+  function: gas_diffusivity
+input:
+  fixed:
+    T_K: [  0.29142360000000002E+003]
+    P: [  0.98692326671601283E+000]
+    MW: [  0.98000000000000000E+002]
+    Vm: [  0.42880001068115234E+002]

src/verification/data_sets/mosaic/gas_diffusivity_output_ts_0.py

@@ -0,0 +1,19 @@
+
+# This file was generated by PartMC-mosaic.
+
+from math import nan as nan, inf as inf
+
+# Object is just a dynamic container that stores input/output data.
+class Object(object):
+    pass
+# Settings are stored here.
+settings = Object()
+# Input is stored here.
+input = Object()
+input.T_K=[[  0.29142360000000002E+003],]
+input.P=[[  0.98692326671601283E+000],]
+input.MW=[[  0.98000000000000000E+002],]
+input.Vm=[[  0.42880001068115234E+002],]
+# Output data is stored here.
+output = Object()
+output.gas_diffusivity=[[  0.11449280832155644E+000],]

src/verification/mosaic/CMakeLists.txt

@@ -8,6 +8,7 @@ add_executable(${DRIVER_NAME}.x
                do_full_deliquescence.cpp
                calculate_XT.cpp
                fnlog_gamZ.cpp
+               gas_diffusivity.cpp
                fn_Keq.cpp
                fn_Po.cpp
                molality_0.cpp
@@ -28,6 +29,7 @@ SET(TEST_LIST
      do_full_deliquescence_input_ts_0
      calculate_XT_input_ts_0
      fnlog_gamZ_input_ts_0
+     gas_diffusivity_input_ts_0
      fn_Keq_input_ts_0
      fn_Po_input_ts_0
      molality_0_input_ts_0
@@ -42,6 +44,7 @@ SET(TEST_BASELINE
     do_full_deliquescence_output_ts_0
     calculate_XT_output_ts_0
     fnlog_gamZ_output_ts_0
+    gas_diffusivity_output_ts_0
     fn_Keq_output_ts_0
     fn_Po_output_ts_0
     molality_0_output_ts_0
@@ -57,6 +60,7 @@ set(ERROR_THRESHOLDS
     ${DEFAULT_TOL} # do_full_deliquescence_output_ts_0
     ${DEFAULT_TOL} # calculate_XT_output_ts_0
     1e-6           # fnlog_gamZ_output_ts_0
+    1e-7           # gas_diffusivity_output_ts_0
     1e-6           # fn_Keq_output_ts_0
     1e-8           # fn_Po_output_ts_0
     1e-5           # molality_0_output_ts_0

src/verification/mosaic/gas_diffusivity.cpp

@@ -0,0 +1,66 @@
+#include "TChem.hpp"
+#include "TChem_Impl_MOSAIC.hpp"
+#include <verification.hpp>
+#include "skywalker.hpp"
+
+using device_type = typename Tines::UseThisDevice<TChem::exec_space>::type;
+using real_type_1d_view = TChem::real_type_1d_view;
+using oridinal_type_1d_view = TChem::ordinal_type_1d_view;
+using ordinal_type = TChem::ordinal_type;
+using namespace skywalker;
+using namespace TChem;
+
+void gas_diffusivity(Ensemble *ensemble) {
+  ensemble->process([=](const Input &input, Output &output) {
+
+    const auto T_K_arr = input.get_array("T_K");
+    const auto P_arr = input.get_array("P");
+    const auto MW_arr = input.get_array("MW");
+    const auto Vm_arr = input.get_array("Vm");
+
+    real_type_1d_view T_K("T_K", 1);
+    verification::convert_1d_vector_to_1d_view_device(T_K_arr, T_K);
+
+    real_type_1d_view P("P", 1);
+    verification::convert_1d_vector_to_1d_view_device(P_arr, P);
+
+    real_type_1d_view MW("MW", 1);
+    verification::convert_1d_vector_to_1d_view_device(MW_arr, MW);
+
+    real_type_1d_view Vm("Vm", 1);
+    verification::convert_1d_vector_to_1d_view_device(Vm_arr, Vm);
+
+    // Reals or int that are defined outside of the parallel_for region are passed as const.
+    real_type_1d_view outputs_gas_diffusivity("outputs_gas_diffusivity", 1);
+
+    std::string profile_name ="Verification_test_gas_diffusivity";
+    using policy_type =
+          typename TChem::UseThisTeamPolicy<TChem::exec_space>::type;
+    const auto exec_space_instance = TChem::exec_space();
+    const auto host_exec_space = TChem::host_exec_space();
+    policy_type policy(exec_space_instance, 1, Kokkos::AUTO());
+
+     Kokkos::parallel_for(
+    profile_name,
+    policy,
+    KOKKOS_LAMBDA(const typename policy_type::member_type& member) {
+
+      Real& gas_diffusivity = outputs_gas_diffusivity(0);
+
+    // Perform the adjustment calculation
+    TChem::Impl::MOSAIC<real_type, device_type>::gas_diffusivity(
+      T_K(0),
+      P(0),
+      MW(0),
+      Vm(0),
+      gas_diffusivity);
+    });
+
+    const auto outputs_gas_diffusivity_h = Kokkos::create_mirror_view_and_copy(host_exec_space, outputs_gas_diffusivity);
+
+    Real gas_diffusivity = outputs_gas_diffusivity_h(0);
+
+    output.set("gas_diffusivity", gas_diffusivity);
+
+  });
+}

src/verification/mosaic/mosaic_driver.cpp

@@ -25,6 +25,8 @@ void calculate_XT(Ensemble *ensemble);
 
 void fnlog_gamZ(Ensemble *ensemble);
 
+void gas_diffusivity(Ensemble *ensemble);
+
 void fn_Keq(Ensemble *ensemble);
 
 void fn_Po(Ensemble *ensemble);
@@ -70,6 +72,8 @@ int main(int argc, char **argv) {
       calculate_XT(ensemble);
     } else if (func_name == "fnlog_gamZ") {
       fnlog_gamZ(ensemble);
+    } else if (func_name == "gas_diffusivity") {
+      gas_diffusivity(ensemble);
     } else if (func_name == "fn_Keq") {
       fn_Keq(ensemble);
     } else if (func_name == "fn_Po") {