Heat equation smoothing of IC (#805)

* add elliptic smoothing

* debug and format

* fix lint and spelling

* fix smoothing operation

* format

* MPI refactor

* boundary conditions refactor and MPI fix for elliptic smoothing

* coordinate bounds updates

* fix post_process, add 1D smoothing, and tests

* NVIDIA GPU fixes

* debugging

* Frontier fix

Author: wilfonba

.fortitude.toml

@@ -1,5 +1,5 @@
 [check]
 # Ignored Rules and justification:
-ignore = ["E001","S001","S101","M011","F001","S041","T001","S101","S102","T002","T011","T042","M001"]
+ignore = ["E001","S001","S101","C121","S091","MOD011","C001","S101","S102","C002","PORT011","C072","C003","C131","C141","C092"]
 file-extensions = ["f90","fpp","fypp"]
 output-format = "pylint"

docs/documentation/case.md

@@ -269,6 +269,11 @@ These physical parameters must be consistent with fluid material's parameters de
 
 - `model_spc` and `model_threshold` are ray-tracing parameters. `model_spc` defines the number of rays per cell to render the model. `model_threshold` defines the ray-tracing threshold at which the cell is marked as the model.
 
+#### Elliptic Smoothing
+
+Initial conditions in which not all patches support the `patch_icpp(j)%smoothen` parameter can still be smoothed by applying iterations of the heat equation to the initial condition.
+This is enabled by adding `'elliptic_smoothing': "T",` and `'elliptic_smoothing_iters': N,` to the case dictionary, where `N` is the number of smoothing iterations to apply.
+
 ### 4. Immersed Boundary Patches
 
 | Parameter            | Type    | Description |

examples/1D_inert_shocktube/README.md

@@ -1,7 +1,7 @@
 # 1D Multi-Component Inert Shock Tube
 
 Reference: 
-> P. J. Martínez Ferrer, R. Buttay, G. Lehnasch, and A. Mura, “A detailed verification procedure for compressible reactive multicomponent Navier–Stokes solvers”, Comput. & Fluids, vol. 89, pp. 88–110, Jan. 2014. Accessed: Oct. 13, 2024. [Online]. Available: https://doi.org/10.1016/j.compfluid.2013.10.014
+> P. J. Martínez Ferrer, R. Buttay, G. Lehnasch, and A. Mura, “A detailed verification procedure for compressible reactive multicomponent Navier–Stokes solvers”, Computers & Fluids, vol. 89, pp. 88–110, Jan. 2014. Accessed: Oct. 13, 2024. [Online]. Available: https://doi.org/10.1016/j.compfluid.2013.10.014
 
 ## Initial Condition
 

examples/1D_reactive_shocktube/README.md

@@ -1,7 +1,7 @@
 # 1D Multi-Component Reactive Shock Tube
 
 References:
-> P. J. Martínez Ferrer, R. Buttay, G. Lehnasch, and A. Mura, “A detailed verification procedure for compressible reactive multicomponent Navier–Stokes solvers”, Comput. & Fluids, vol. 89, pp. 88–110, Jan. 2014. Accessed: Oct. 13, 2024. [Online]. Available: https://doi.org/10.1016/j.compfluid.2013.10.014
+> P. J. Martínez Ferrer, R. Buttay, G. Lehnasch, and A. Mura, “A detailed verification procedure for compressible reactive multicomponent Navier–Stokes solvers”, Computers & Fluids, vol. 89, pp. 88–110, Jan. 2014. Accessed: Oct. 13, 2024. [Online]. Available: https://doi.org/10.1016/j.compfluid.2013.10.014
 
 > H. Chen, C. Si, Y. Wu, H. Hu, and Y. Zhu, “Numerical investigation of the effect of equivalence ratio on the propagation characteristics and performance of rotating detonation engine”, Int. J. Hydrogen Energy, Mar. 2023. Accessed: Oct. 13, 2024. [Online]. Available: https://doi.org/10.1016/j.ijhydene.2023.03.190
 

misc/acc_devices.f90

@@ -23,4 +23,4 @@ program main
         print '(" - "I3" : "A" | "F0.2" GB | "A"")', i, devvendor, devmem, devname
     end do
 
-end program
+end program main