Procedures

Advances velocity using the 2nd-order Adams-Bashforth scheme.

Advance transported sensible enthalpy with constant flow density.

Orchestrates one full fractional-step iteration.

Performs one explicit Euler step for species transport.

Allocate all energy arrays for the mesh.

Dynamically allocates all arrays within the flow fields container.

Helper to safely add a face to a cell's local face list.

Adjusts flux at Neumann outlets to ensure strict global mass balance.

Convert a boundary temperature to enthalpy using the active thermo model. Boundary enthalpy from a boundary temperature.

Evaluates pressure at a boundary face.

Evaluates species mass fractions at a boundary face.

Returns the pressure BC type for a given face. Evaluates temperature at a boundary face.

Evaluates the velocity vector at a boundary face.

Synchronizes namelist parameters with mesh patches to create a complete BC set.

Build a boundary thermodynamic composition vector for fixed-T boundaries.

Build a flattened C-compatible species-name buffer.

Builds the cell-to-face mapping by inverting the face owner/neighbor data.

Build a cellwise thermodynamic composition array for Cantera calls.

C-Binding interface for the Cantera C++ bridge.

C-Binding interface for the Cantera C++ bridge.

C-Binding interface for the Cantera C++ bridge.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for the Cantera C++ bridge.

Internal helper for MPI error checking.

Internal helper for MPI error checking.

Internal utility to check MPI return codes and abort on failure.

Internal helper for MPI error checking.

Calculates domain-wide CFL and optionally scales the timestep size.

Helper to integrated boundary flux on MPI-owned partitions.

Aggregates global residuals, kinetic energy, and mass balance data.

Computes the discrete divergence of face fluxes for each cell.

Computes global integral quantities for diagnostic reporting.

Evaluates the advective, diffusive, and pressure terms of the momentum equation.

Linearly interpolates cell-centered intermediate velocity to mesh faces.

Updates cell-centered velocity using the pressure potential gradient.

Corrects face fluxes using the pressure potential gradient.

Normal distance used for cell-cell and cell-boundary temperature gradients.

Outward unit normal from cell_id for face_id.

Validates that periodic patches have correctly established links.

Pre-computes Laplacian coefficients for the Poisson operator.

Allocates and resets temporary solver vectors.

Compute h(T,Y,p0) for one boundary state using Cantera.

Constant-cp helper for a single boundary/face temperature value.

Returns the neighbor cell index, accounting for periodic connectivity.

Linearly interpolates a scalar field to a face.

Linearly interpolates a vector field to a face.

Computes the linear interpolation weight for a neighbor cell.

Calculates the normal distance between cell centers or cell-to-face.

Aborts the simulation with a formatted error message.

Safely deallocates the boundary condition patch array.

Deallocate all energy arrays.

Deallocates all arrays and resets validity flags.

Deallocate the persistent flow projection workspace.

Safely deallocates species fields and names.

Safely deallocates transport property fields.

Gathers locally-updated matrix cell values and broadcasts to the global mesh.

In-place variant for fields that already hold owned-cell updates.

Gathers locally-updated cell values and broadcasts to the global mesh.

Gathers 4-component cell values (e.g., Velocity + Scalar) in one call.

Gathers locally-updated 3D vector cell values and broadcasts to the global mesh.

Sum-Allreduce for a global scalar field.

Sum-Allreduce for a 3D global vector field.

Exchanges owned cell matrix values to ranks that keep them as ghosts.

Exchanges owned cell scalar values to ranks that keep them as ghosts.

Exchanges owner-computed face scalar values to ranks owning the neighbor cell.

Gathers owned matrix cell values to rank 0 only.

Gathers owned scalar cell values to rank 0 only.

Computes the global dot product of two vectors over owned cells.

Computes multiple global dot products in a single MPI_Allreduce.

Computes the global maximum magnitude of a field over owned cells.

Computes the global sum of a field over owned cells.

Computes two global dot products without constructing temporary full-size batches.

Releases all MPI resources and buffers.

Sets up domain decomposition for a given mesh.

Parses command line arguments to find the case configuration file.

Higher-level wrapper to coordinate Cantera initialization.

Initialize energy fields from case parameters.

Initializes flow fields and sets simulation initial conditions.

Populates species fields with initial mass fractions and handles naming.

Allocates property arrays and initializes the Cantera bridge if required.

Returns true if the face belongs to a periodic boundary.

Converts an input string to all lowercase characters.

Safely deallocates all heap-allocated arrays in the mesh structure.

Returns the mesh neighbor, using stored periodic links when present.

Shuts down the MPI environment if it was started by this module.

Initializes the MPI environment if not already active.

Helper routine to safely open a namelist file for reading.

Determines the outward unit normal relative to a specific cell.

Packs full per-rank metadata down to active communication partners.

Converts a case-insensitive string to its corresponding internal BC type ID.

Retrieves the master BC type for a given face ID.

Converts per-rank counts to zero-based displacements.

Updates cached count/displacement arrays for a packed component count.

Creates the output directory specified in the case parameters.

Calculates the pressure gradient at a cell center using Gauss's Theorem.

Sparse Matrix-Vector multiplication for the Laplacian operator.

Configure profiling behavior at runtime.

Generates a collective performance report across all MPI ranks.

Reset all profiler state.

Starts a timer for a named kernel.

Stops a timer and accumulates the elapsed time.

Releases radiation MPI resources.

Initializes the radiation MPI context by duplicating a parent communicator.

Performs contiguous task decomposition for the radiation solver.

Reads the &boundary_input namelist block.

Orchestrates the reading of all namelist blocks from the configuration file.

Reads cell definitions from cells.dat.

Reads the &output_input namelist block. Reads the &energy_input namelist block.

Reads face metrics and owner/neighbor connectivity from faces.dat.

Reads the &fluid_input namelist block.

Reads the &mesh_input namelist block.

Orchestrates the reading of all mesh components from a directory.

Reads boundary patch definitions and face lists from patches.dat.

Reads periodic link data from periodic.dat if it exists.

Reads node coordinates from points.dat.

Reads the &profiling_input block.

Reads the &solver_input namelist block.

Reads the &species_input namelist block.

Reads the &time_input namelist block.

Updates the call tree edge statistics between two timers.

Recover T from h and refresh cp/lambda/rho_thermo in one Cantera sync.

Recover T from h using Cantera HPY inversion.

Recover T from h using the constant-cp thermodynamic model.

Builds cell ghost send/receive metadata for one-ring neighbor stencils.

Initializes contiguous-decomposition owner lookup.

Builds face-flux halo metadata for shared internal faces.

Caches faces whose owner cell belongs to this rank.

Pre-calculates MPI gather offsets and counts for allgather operations.

Iteratively solves the Pressure Poisson system using PCG.

Update h from T using the constant-cp thermodynamic model.

Update h, cp, lambda, and diagnostic thermo density from current T.

Evaluates physical properties for the entire domain.

Ensures all boundary patch names and types are non-empty.

Performs sanity checks on hex connectivity before writing output.

Validates all parsed parameters against physical and algorithmic limits.

Writes the CSV header for global simulation diagnostics.

Appends a new row of diagnostic data to the CSV file.

Writes the CSV header for energy diagnostics.

Appends one row of global energy diagnostics.

Writes a human-readable summary of the mesh connectivity and patches.

Writes a PVD collection file to allow ParaView to load time-series data.

Writes the master Parallel VTK file (.pvtu) that links the rank pieces.

Internal helper to write a scalar field to a VTU file.

Writes the full flow field to an XML Unstructured Grid file (.vtu).

Reset the volumetric energy source to zero.