Procedures

Accumulate local chemistry workload/screening statistics.

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

Advance cell-local Cantera chemistry on owned cells.

Advance transported sensible enthalpy one explicit finite-volume step.

Orchestrates one full fractional-step iteration.

Performs one explicit Euler step for non-reacting 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.

Cut the next dynamic timestep when chemistry produced a large state jump. This does not reject the current step; it prevents the next operator-split chemistry/projection update from repeating an overly large heat-release jump.

Apply a one-time spherical ignition kernel during initialization.

Sparse matrix-vector product for the assembled P-1 system.

Sparse matrix-vector product for the assembled DOM transport system.

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 projection pressure at a boundary face.

Evaluates species mass fractions at a boundary 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 Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

C-Binding interface for Cantera thermodynamics.

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.

Returns true if the composition input string is populated and non-empty.

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

Helper to integrated boundary flux on MPI-owned partitions.

Computes density-weighted face mass flux from volumetric flux.

Aggregates global raw-divergence, kinetic-energy, and boundary-flux 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.

Compute recomputed divergence and mass-flux divergence for one cell.

Compute compact cell-centered gradients from immediately adjacent cells. Boundary faces without an effective/periodic neighbor are skipped; boundary values are still enforced by scalar_face_value at the boundary face.

Compute species sensible enthalpies h_k(T)-h_k(T_ref) [J/kg_k] for all cells.

Compute concise variable-density low-Mach diagnostics for the terminal.

Updates cell-centered velocity using the pressure potential gradient.

Corrects face fluxes using the pressure potential gradient.

Performs a post-chemistry corrective pressure projection step.

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.

Allocate persistent solver workspace.

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

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

Evaluate multi-guard physical and numerical safety gates for step rejection and retry.

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.

Allocates and resets temporary solver vectors. Calculates the normal distance between cell centers or cell-to-face.

Calculates the distance between cell and neighbor center along face normal.

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 temporary work arrays.

Safely deallocates species fields and names.

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 two to four related cell scalars in one halo transaction.

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.

Symmetric level-style quadrature lookup/generator.

Initialize energy fields from case parameters.

Initializes flow fields and sets simulation initial conditions.

Populates species fields with initial mass fractions and handles naming.

Returns true if the face belongs to a periodic boundary.

Checks if an existing flow.pvd file exists and reads its entries to populate our steps/times.

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.

Standard minmod limiter function.

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.

Systematically parses a composition string and maps values to species array indexes.

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.

Expose Dirichlet flag from cache.

Expose Neumann outlet flag from cache.

Face-centered inverse density coefficient for variable-density projection.

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

Sparse Matrix-Vector multiplication for the Laplacian operator.

Select the active diagonal used by the pressure PCG preconditioner.

Configure profiling behavior at runtime.

Registers the solver's standard timers on all ranks in deterministic order.

Pre-registers a timer name without starting it.

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.

Returns first-octant normalized weights. Full-space weights are w_ijk*pi/2.

Main entry point for the DOM radiation model.

Main entry point for the P-1 radiation model.

Configure spectral radiation decomposition.

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 optional &chemistry_input namelist block.

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 optional &ignition_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 optional &radiation_input namelist block.

Read a restart file if restart_from_file is enabled. All ranks read the same global file; because arrays are global, this naturally supports a new MPI rank count without scatter logic.

Reads the optional &restart_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.

Owned-cell thermo sync for the timestep hot path.

Recover T from h using Cantera HPY inversion.

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

Owned-cell fused thermo sync plus species sensible enthalpies.

Refresh h/cp/lambda/rho_thermo from the current temperature field.

Bound procedure to find the index of a species from the registry instance.

Bound procedure to find the index of a species, raising a fatal error if it is missing.

Keeps the local species mass fractions on the bounded physical simplex.

Resolve optional named chemistry active-species screening names to current species indices.

Reconstruct a scalar value at a face using the requested scheme. flux_out is oriented outward from cell c. neighbor is the effective neighbor seen from c (0 for non-periodic boundary). For Dirichlet boundaries, boundary_value is used as the exterior state.

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.

Jacobi-preconditioned BiCGStab solver for the unsymmetric DOM transport system.

Jacobi-preconditioned Conjugate Gradient solver for the symmetric P-1 system.

Iteratively solves the Pressure Poisson system using PCG.

Searches the name array for a target name and returns its 1-based index, or 0 if not found.

Returns true if two species names are identical (case-insensitive, whitespace-trimmed).

Searches for a target name and returns its index, or halts simulation with a fatal error if not found.

Compute species sensible enthalpies for one boundary/face state.

Remove the constant nullspace component from an owned-cell scalar.

Standard superbee limiter function.

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

Update the guarded variable-density low-Mach divergence source.

Dynamically adds a new step and actual physical time entry to flow.pvd.

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

Rebuild per-step variable-density pressure coefficients.

Validate scalar/momentum advection names at input time.

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

Validate limiter names. The current bounded implementation maps these limiters to the same local-bounds clamp; the menu is preserved in input so future limiter-specific formulas can be added without changing cases.

Validates all parsed parameters against physical and algorithmic limits.

Runtime quadrature consistency checks.

Write boundary-condition input settings to the run configuration summary.

Write per-patch boundary mass-balance diagnostics.

Print bridge-level Cantera cache statistics, summed over flow ranks.

Initialize chemistry workload diagnostics CSV.

Print accumulated chemistry workload and screening effectiveness statistics.

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.

Append local rho*h density-reconciliation fields to VTU CellData.

Write dedicated enthalpy/energy budget diagnostics.

Write ignition-kernel settings to the run configuration summary.

Append variable-density low-Mach debug fields to the VTU CellData block.

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

Write one audited cell and all its faces.

Writes a PVD collection file to allow ParaView to load time-series data (legacy wrapper).

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

Write a restart file if enabled in &restart_input.

Write a concise, reproducible summary of physics and numerical settings.

Write aggregate species and enthalpy conservation trend diagnostics.

Scan all owned boundary-adjacent cells for low-Mach projection residuals.

Write low-Mach compatibility and source-time-level diagnostics.

Write conservative continuity residual diagnostics for variable-density mode.

Performs sanity checks on hex connectivity before writing output. Write variable-density low-Mach diagnostics to dedicated CSV files.

Targeted diagnostics for experimental variable-density energy/Cantera HP failures.

Targeted projection audit for variable-density low-Mach residuals.

Write variable-density transport/conservation diagnostics.

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

Main dispatcher that routes to either ASCII or high-performance Binary VTU formats.

Reset the volumetric energy source to zero.