Chem ToolChain

Author: DimAdam-01

examples/1D_MultiComponent_Diffusion/case.py

@@ -15,7 +15,7 @@
 
 args = parser.parse_args()
 
-ctfile = "grigri.yaml"
+ctfile = "input/grigri.yaml"
 
 L = 0.05
 Nx = 100

examples/1D_MultiComponent_Diffusion/grigri.yaml renamed to examples/1D_MultiComponent_Diffusion/input/grigri.yaml

@@ -37,7 +37,7 @@
 u_r = -487.34
 
 L = 0.12
-Nx = 400 * args.scale
+Nx = 100 * args.scale
 dx = L / Nx
 dt = dx / abs(u_r) * 0.02
 Tend = 230e-6
@@ -50,16 +50,20 @@
     # Logistics
     "run_time_info": "T",
     # Computational Domain Parameters
-    "x_domain%beg": 0,
-    "x_domain%end": L,
+    "x_domain%beg": -L/2,
+    "x_domain%end": L/2,
+            "stretch_x": "T",
+            "a_x": 20,
+            "x_a":- L/8,
+            "x_b": L/8,
     "m": Nx,
     "n": 0,
     "p": 0,
     "dt": float(dt),
     "t_step_start": 0,
-    "t_step_stop": NT,
-    "t_step_save": NS,
-    "t_step_print": NS,
+    "t_step_stop": 1,
+    "t_step_save": 1,
+    "t_step_print": 1,
     "parallel_io": "F" if args.mfc.get("mpi", True) else "F",
     # Simulation Algorithm Parameters
     "model_eqns": 2,
@@ -89,14 +93,14 @@
     "prim_vars_wrt": "T",
     "chem_wrt_T": "T",
     "patch_icpp(1)%geometry": 1,
-    "patch_icpp(1)%x_centroid": L / 4,
-    "patch_icpp(1)%length_x": L / 2,
+    "patch_icpp(1)%x_centroid": L/4,
+    "patch_icpp(1)%length_x": L/2 ,
     "patch_icpp(1)%vel(1)": u_l,
     "patch_icpp(1)%pres": sol_L.P,
     "patch_icpp(1)%alpha(1)": 1,
     "patch_icpp(1)%alpha_rho(1)": sol_L.density,
     "patch_icpp(2)%geometry": 1,
-    "patch_icpp(2)%x_centroid": 3 * L / 4,
+    "patch_icpp(2)%x_centroid": -  L / 4,
     "patch_icpp(2)%length_x": L / 2,
     "patch_icpp(2)%vel(1)": u_r,
     "patch_icpp(2)%pres": sol_R.P,

examples/1D_reactive_shocktube/case.py

@@ -390,11 +390,7 @@ def input_chemistry_diffusion(self):
     if "MultiComponent_Diffusion" in self.trace:
         copy_input_diffusion(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}')
 
-def create_input_diffusion(path_test):
-    folder_path_diffusion = path_test
-    file_path_diffusion = folder_path_diffusion + '/grigri.yaml'
-
 def copy_input_diffusion(path_example_input, path_test):
-    folder_path_dest = path_test 
-    fite_path_dest = folder_path_dest + 'grigri.yaml'
-    file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/grigri.yaml'
+    folder_path_dest = path_test + '/input/'
+    file_path_dest = folder_path_dest + 'grigri.yaml'
+    file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/input/grigri.yaml'