From dd12e9c8ce487dc05d6142903f138d105b9d0b14 Mon Sep 17 00:00:00 2001 From: Zhi Date: Sun, 19 Nov 2023 14:55:56 -0500 Subject: [PATCH 1/3] make n14 optional --- Exec/science/Detonation/problem_initialize.H | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/Exec/science/Detonation/problem_initialize.H b/Exec/science/Detonation/problem_initialize.H index d1e8a6d732..19c11f4e0c 100644 --- a/Exec/science/Detonation/problem_initialize.H +++ b/Exec/science/Detonation/problem_initialize.H @@ -16,7 +16,7 @@ void problem_initialize () problem::in14 = network_spec_index("nitrogen-14"); problem::io16 = network_spec_index("oxygen-16"); - if (problem::ihe4 < 0 || problem::ic12 < 0 || problem::in14 < 0 || problem::io16 < 0) { + if (problem::ihe4 < 0 || problem::ic12 < 0 || problem::io16 < 0) { amrex::Error("ERROR: species indices not found"); } @@ -51,9 +51,15 @@ void problem_initialize () } problem::xn[problem::ic12] = amrex::max(problem::cfrac, problem::smallx); - problem::xn[problem::in14] = amrex::max(problem::nfrac, problem::smallx); problem::xn[problem::io16] = amrex::max(problem::ofrac, problem::smallx); - problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; + + if (!problem::in14 < 0) { + problem::xn[problem::in14] = amrex::max(problem::nfrac, problem::smallx); + problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; + } + else { + problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; + } // Set the ambient material From 2b5f3f0edd2591c82342a8192e708dc457a444dd Mon Sep 17 00:00:00 2001 From: Zhi Date: Sun, 19 Nov 2023 21:30:56 -0500 Subject: [PATCH 2/3] update --- Exec/science/Detonation/problem_initialize.H | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Exec/science/Detonation/problem_initialize.H b/Exec/science/Detonation/problem_initialize.H index 19c11f4e0c..e998e52c71 100644 --- a/Exec/science/Detonation/problem_initialize.H +++ b/Exec/science/Detonation/problem_initialize.H @@ -58,7 +58,7 @@ void problem_initialize () problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; } else { - problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; + problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::ofrac - (NumSpec - 2) * problem::smallx; } // Set the ambient material From 1091dd771d4e584df6c278b8c9f09030f106cffb Mon Sep 17 00:00:00 2001 From: Zhi Date: Tue, 21 Nov 2023 21:23:10 -0500 Subject: [PATCH 3/3] switch conditional statement --- Exec/science/Detonation/problem_initialize.H | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Exec/science/Detonation/problem_initialize.H b/Exec/science/Detonation/problem_initialize.H index e998e52c71..58205bbf24 100644 --- a/Exec/science/Detonation/problem_initialize.H +++ b/Exec/science/Detonation/problem_initialize.H @@ -53,7 +53,7 @@ void problem_initialize () problem::xn[problem::ic12] = amrex::max(problem::cfrac, problem::smallx); problem::xn[problem::io16] = amrex::max(problem::ofrac, problem::smallx); - if (!problem::in14 < 0) { + if (problem::in14 >= 0) { problem::xn[problem::in14] = amrex::max(problem::nfrac, problem::smallx); problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; }