Small Changes

Author: DimAdam-01

docs/documentation/case.md

@@ -236,11 +236,16 @@ and use `patch_icpp(i)%%geometry = 7` and `patch_icpp(i)%%hcid = 200` in the inp
 Additional variables can be declared in `Hardcoded1[2,3]DVariables` and used in `hardcoded1[2,3]D`.
 As a convention, any hard coded patches that are part of the MFC master branch should be identified as 1[2,3]xx where the first digit indicates the number of dimensions.
 
-Also Several custom hard-coded patches are already defined to support common workflows. These include:
+The code provides three pre-built patches for dimensional extrusion of initial conditions:
+
+- `case(170)`: Load 1D profile from data files
+- `case(270)`: Extrude 1D data to 2D domain
+- `case(370)`: Extrude 2D data to 3D domain
+
+Setup: Only requires specifying `init_dir` and filename pattern via `zeros_default`. Grid dimensions are automatically detected from the data files.
+Implementation: All variables and file handling are managed in `src/pre_process/include/ExtrusionHardcodedIC.fpp` with no manual grid configuration needed.
+Usage: Ideal for initializing simulations from lower-dimensional solutions, enabling users to add perturbations or modifications to the base extruded fields for flow instability studies.
 
-By convention, patch ID `case(170)` load a 1D profile, ID `case(270)` extrude that 1D data into 2D, and ID `case(370)` extrude 2D data into 3D. 
-You only need to supply `init_dir` (and the filename‐pattern via `zeros_default`). All related variables (including init_dir, zeros_default, and the “files_loaded” flag) 
-live in `src/pre_process/include/ExtrusionHardcodedIC.fpp`, and no manual grid‐size settings are required.
 #### Parameter Descriptions
 
 - `num_patches` defines the total number of patches defined in the domain.

examples/1D_Ext_Test/case.py

@@ -0,0 +1,102 @@
+#!/usr/bin/env python3
+# References:
+# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube
+
+import json
+import argparse
+import math
+
+import cantera as ct
+
+parser = argparse.ArgumentParser(prog="nD_inert_shocktube", formatter_class=argparse.ArgumentDefaultsHelpFormatter)
+
+parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.")
+parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemstry.")
+
+args = parser.parse_args()
+
+ctfile = "h2o2.yaml"
+sol_L = ct.Solution(ctfile)
+sol_L.TPX = 300, 101325, "O:1"
+u_r = -487.34
+L = 0.12
+Nx = 400
+dx = L / Nx
+dt = dx / abs(u_r) * 0.02
+Tend = 230e-6
+
+NT = int(Tend / dt)
+SAVE_COUNT = 100
+NS = NT // SAVE_COUNT
+
+case = {
+    # Logistics ================================================================
+    "run_time_info": "T",
+    # ==========================================================================
+    # Computational Domain Parameters ==========================================
+    "x_domain%beg": 0,
+    "x_domain%end": +L,
+    "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,
+    "parallel_io": "F",
+    # ==========================================================================
+    # Simulation Algorithm Parameters ==========================================
+    "model_eqns": 2,
+    "num_fluids": 1,
+    "num_patches": 1,
+    "mpp_lim": "F",
+    "mixture_err": "F",
+    "time_stepper": 3,
+    "weno_order": 5,
+    "weno_eps": 1e-16,
+    "weno_avg": "F",
+    "mapped_weno": "T",
+    "mp_weno": "T",
+    "riemann_solver": 2,
+    "wave_speeds": 2,
+    "avg_state": 1,
+    "bc_x%beg": -2,
+    "bc_x%end": -3,
+    "viscous": "F",
+    # ==========================================================================
+    # Chemistry ================================================================
+    "chemistry": "T" if not args.chemistry else "T",
+    "chem_params%diffusion": "F",
+    "chem_params%reactions": "T",
+    # ==========================================================================
+    # Formatted Database Files Structure Parameters ============================
+    "format": 1,
+    "precision": 2,
+    "prim_vars_wrt": "F",
+    # ==========================================================================
+    # ==========================================================================
+    "patch_icpp(1)%geometry": 15,
+    "patch_icpp(1)%hcid": 170,
+    "patch_icpp(1)%x_centroid": L / 2,
+    "patch_icpp(1)%length_x": L,
+    "patch_icpp(1)%vel(1)": "8*exp(-400*((x-0.002/2)/0.002)**2)",
+    "patch_icpp(1)%pres": 1.01315e5,
+    "patch_icpp(1)%alpha(1)": 1,
+    # 'patch_icpp(1)%Y(1)'           : '0.4+x/0.002*0.2',
+    # 'patch_icpp(1)%Y(4)'           : '0.6-x/0.002*0.2',
+    # 'patch_icpp(1)%Y(5)'           : '0.6-x/0.002*0.2',
+    "patch_icpp(1)%alpha_rho(1)": "1",  #'(1.01325*10**5-1100*exp(-400*((x-0.002/2)/0.002)**2))/(8.314*1000*( (0.4+x/0.002*0.2)/2.016+(0.6-x/0.002*0.2)/32)*(300+30*exp(-400*((x-0.002/2)/0.002)**2)))',
+    # ==========================================================================
+    # Fluids Physical Parameters ===============================================
+    "fluid_pp(1)%gamma": 1.0e00 / (1.32e00 - 1.0e00),
+    "fluid_pp(1)%pi_inf": 0,
+    # ==========================================================================
+    # Chemistry ================================================================
+    "cantera_file": ctfile,
+    # ==========================================================================
+}
+
+
+if __name__ == "__main__":
+    print(json.dumps(case))