adjust ambient comp. and ensure eos_state.xn sums to 1

AMReX-Astro · Aug 1, 2024 · 3f04cd1 · 3f04cd1
1 parent 746ab48
commit 3f04cd1
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Showing 2 changed files with 11 additions and 6 deletions.
diff --git a/Exec/science/gradient_detonation/problem_initialize.H b/Exec/science/gradient_detonation/problem_initialize.H
@@ -92,7 +92,7 @@ void problem_initialize ()
 
     problem::ambient_dens = problem::dens;
     for (int n = 0; n < NumSpec; n++) {
-        problem::ambient_comp[n] = problem::xn_core[n] + problem::xn_env[n];
+        problem::ambient_comp[n] = problem::xn_env[n];
     }
 
     eos_t eos_state;
@@ -101,11 +101,6 @@ void problem_initialize ()
         eos_state.xn[n]  = problem::ambient_comp[n];
     }
 
-#ifdef AUX_THERMO
-    // set the aux quantities -- we need to do this if we are using the NSE network
-    set_aux_comp_from_X(eos_state);
-#endif
-
     eos_state.T = problem::T_l;
 
     eos(eos_input_rt, eos_state);

diff --git a/Exec/science/gradient_detonation/problem_initialize_state_data.H b/Exec/science/gradient_detonation/problem_initialize_state_data.H
@@ -38,6 +38,16 @@ void problem_initialize_state_data (int i, int j, int k,
         eos_state.xn[n] = problem::xn_core[n] + problem::xn_env[n];
     }
 
+    // normalize eos_state.xn
+    Real sum_xn = 0.0_rt;
+    for (int n = 0; n < NumSpec; n++) {
+        sum_xn += eos_state.xn[n]
+    }
+
+    for (int n = 0; n < NumSpec; n++) {
+        eos_state.xn[n] /= sum_xn;
+    }
+
     eos(eos_input_rt, eos_state);
 
     state(i,j,k,UMX) = state(i,j,k,URHO) * (problem::vel - 2 * problem::vel * (1.0_rt - sigma));