mod_input Module

Parsing and validation of simulation parameters from case.nml.

This module handles the ingestion of user-defined parameters using Fortran namelists. It is structured to read parameters in logical groups: - mesh_input: Path to the native hexahedral grid files. - time_input: Step counts, timestep size, and CFL control. - fluid_input: Constant/Cantera properties (density, viscosity). - solver_input: Linear solver tolerances and numerical schemes. - boundary_input: Mapping of BC types and values to mesh patches. - species_input: Multi-species transport and chemical mechanism selection. - output_input: Control over VTK and diagnostic file generation. - profiling_input: Control over profiling enable/disable and nested reporting.


Uses


Variables

Type Visibility Attributes Name Initial
integer, public, parameter :: max_patches = 64
integer, public, parameter :: max_species = 256

Derived Types

type, public ::  case_params_t

Global container for all parsed simulation parameters.

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Components

Type Visibility Attributes Name Initial
real(kind=rk), public :: background_press = 101325.0_rk
real(kind=rk), public :: background_temp = 300.0_rk
real(kind=rk), public :: body_force(3) = zero
character(len=path_len), public :: cantera_mech_file = "gri30.yaml"
character(len=name_len), public :: cantera_phase_name = ""
integer, public :: cantera_reaction_count = 0
character(len=name_len), public :: chemistry_active_species_name(max_species) = ""
real(kind=rk), public :: chemistry_active_species_threshold = zero
real(kind=rk), public :: chemistry_atol = 1.0e-15_rk
real(kind=rk), public :: chemistry_dt_min_factor = 0.1_rk
real(kind=rk), public :: chemistry_dt_safety = 0.5_rk
logical, public :: chemistry_energy_enabled = .true.
logical, public :: chemistry_limit_source_update = .false.
real(kind=rk), public :: chemistry_max_dT_per_step = zero
real(kind=rk), public :: chemistry_max_dY_per_step = zero
real(kind=rk), public :: chemistry_max_rel_rho_change_per_step = zero
integer, public :: chemistry_max_steps = 10000
real(kind=rk), public :: chemistry_min_reactive_mass_fraction = zero
integer, public :: chemistry_n_active_species = 0
real(kind=rk), public :: chemistry_rtol = 1.0e-8_rk
real(kind=rk), public :: chemistry_source_relaxation = one
real(kind=rk), public :: chemistry_temperature_cutoff = zero
integer, public :: chemistry_update_interval = 1

name: Operator-split Cantera chemistry controls
character(len=name_len), public :: convection_scheme = "upwind"
character(len=name_len), public :: density_eos = "constant"
real(kind=rk), public :: dt = zero
real(kind=rk), public :: dt_growth_limit = 1.02_rk
real(kind=rk), public :: dt_old = zero
logical, public :: enable_cantera_fluid = .false.

name: Cantera Bridge Integration
logical, public :: enable_cantera_species = .false.
logical, public :: enable_cantera_thermo = .false.
logical, public :: enable_chemistry_load_balancing = .false.
logical, public :: enable_chemistry_subcycling = .false.

name: Chemistry and Reacting Flow Stability Upgrades
logical, public :: enable_density_corrector_projection = .false.
logical, public :: enable_energy = .false.

name: Enthalpy Energy Equation Controls
logical, public :: enable_ignition_kernel = .false.

name: Ignition-kernel initialization
logical, public :: enable_profiling = .true.

name: Profiling Controls
logical, public :: enable_radiation = .false.

name: Spectral radiation coupling controls
logical, public :: enable_reactions = .false.
logical, public :: enable_species = .false.

name: Multi-Species Transport
logical, public :: enable_species_enthalpy_diffusion = .false.
logical, public :: enable_step_rejection = .false.
logical, public :: enable_variable_density = .false.
logical, public :: enable_variable_nu = .false.
character(len=name_len), public :: energy_convection_scheme = "upwind"
real(kind=rk), public :: energy_cp = 1005.0_rk
real(kind=rk), public :: energy_lambda = 2.6e-2_rk
real(kind=rk), public :: energy_reference_T = 298.15_rk
real(kind=rk), public :: energy_reference_h = zero
character(len=name_len), public :: energy_time_scheme = "euler"
real(kind=rk), public :: ignition_kernel_T = zero
character(len=name_len), public :: ignition_kernel_blend = "overwrite"
real(kind=rk), public :: ignition_kernel_center(3) = zero
character(len=1024), public :: ignition_kernel_composition = ""
real(kind=rk), public :: ignition_kernel_radius = zero
character(len=name_len), public :: ignition_kernel_shape = "sphere"
real(kind=rk), public :: initial_T = 300.0_rk
real(kind=rk), public :: initial_Y(max_species) = 0.0_rk
character(len=1024), public :: initial_composition = ""
real(kind=rk), public :: ke_reject_floor = 1.0e-12_rk
real(kind=rk), public :: max_KE_growth_per_step = 10.0_rk
real(kind=rk), public :: max_cfl = 0.5_rk
real(kind=rk), public :: max_cfl_overshoot_factor = 1.25_rk
integer, public :: max_chemistry_subcycles = 8
real(kind=rk), public :: max_dt = huge(one)
real(kind=rk), public :: max_pressure_residual_limit = 1.0e-2_rk
integer, public :: max_step_retries = 6
real(kind=rk), public :: max_temperature_limit = 3200.0_rk
character(len=path_len), public :: mesh_dir = "mesh_native"
real(kind=rk), public :: min_density_ratio_limit = 0.05_rk
real(kind=rk), public :: min_dt = 1.0e-12_rk
real(kind=rk), public :: min_temperature_limit = 200.0_rk
character(len=name_len), public :: momentum_convection_scheme = ""
integer, public :: n_patches = 0

name: Boundary Condition Mapping
integer, public :: namelist_nspecies = 0

name: Internal Registry (Reacting discovery)
character(len=name_len), public :: namelist_species_name(max_species) = ""
logical, public :: nested_profiling = .true.
integer, public :: nspecies = 0
integer, public :: nsteps = 0

name: Time Stepping
real(kind=rk), public :: nu = 1.0e-2_rk
character(len=path_len), public :: output_dir = "output"

name: Data Output
integer, public :: output_interval = 1
real(kind=rk), public :: patch_T(max_patches) = 300.0_rk
real(kind=rk), public :: patch_Y(max_species,max_patches) = zero
character(len=1024), public :: patch_composition(max_patches) = ""
real(kind=rk), public :: patch_dpdn(max_patches) = zero
real(kind=rk), public :: patch_mass_flux(max_patches) = zero
character(len=name_len), public :: patch_name(max_patches) = ""
real(kind=rk), public :: patch_p(max_patches) = zero
character(len=name_len), public :: patch_pressure_type(max_patches) = ""
character(len=name_len), public :: patch_species_type(max_patches) = ""

Species Boundary Conditions
character(len=name_len), public :: patch_temperature_type(max_patches) = ""
character(len=name_len), public :: patch_type(max_patches) = ""
real(kind=rk), public :: patch_u(max_patches) = zero
real(kind=rk), public :: patch_v(max_patches) = zero
character(len=name_len), public :: patch_velocity_type(max_patches) = ""

Field-specific BC Overrides
real(kind=rk), public :: patch_w(max_patches) = zero

positive magnitude for inlet/outlet_mass_flux.
real(kind=rk), public :: pressure_abs_tol = 1.0e-8_rk
integer, public :: pressure_max_iter = 300

name: Linear Solver & Numerics
real(kind=rk), public :: pressure_tol = 1.0e-10_rk
real(kind=rk), public :: radiation_absorption_coeff = 1.0_rk
logical, public :: radiation_debug = .false.
character(len=name_len), public :: radiation_dom_quadrature = "s2"
real(kind=rk), public :: radiation_emissivity = 1.0_rk
integer, public :: radiation_n_scalars = 0
integer, public :: radiation_n_species = 0
integer, public :: radiation_n_wavenumbers = 0
character(len=name_len), public :: radiation_pressure_source = "background"
character(len=name_len), public :: radiation_scalar_name(max_species) = ""
character(len=name_len), public :: radiation_source_model = "none"
real(kind=rk), public :: radiation_source_scale = 0.0_rk
character(len=name_len), public :: radiation_species_name(max_species) = ""
integer, public :: radiation_update_interval = 1
logical, public :: reject_on_nan = .true.
logical, public :: reject_on_pressure_max_iter = .true.
character(len=path_len), public :: restart_file = ""
logical, public :: restart_from_file = .false.

name: Restart Controls
integer, public :: restart_interval = 0
integer, public :: restart_keep = 0
logical, public :: restart_nsteps_are_additional = .false.
character(len=path_len), public :: restart_output_dir = "restart"
logical, public :: restart_use_file_dt = .false.
real(kind=rk), public :: rho = one

name: Fluid Properties
character(len=name_len), public :: scalar_limiter = "barth_jespersen"
character(len=name_len), public :: species_convection_scheme = "upwind"
real(kind=rk), public :: species_diffusivity(max_species) = 0.0_rk
character(len=name_len), public :: species_name(max_species) = ""
character(len=name_len), public :: species_time_scheme = "euler"
real(kind=rk), public :: step_reject_cut_factor = 0.5_rk
real(kind=rk), public :: step_reject_min_dt = 1.0e-12_rk
logical, public :: stop_on_min_dt_failure = .true.
real(kind=rk), public :: subcycling_dT_threshold = 10.0_rk
character(len=name_len), public :: terminal_detail = "health"
integer, public :: terminal_interval = 1
character(len=name_len), public :: thermo_default_species = 'N2'
integer, public :: thermo_update_interval = 1
integer, public :: transport_update_interval = 1
logical, public :: upwind_dilatation_density = .false.
logical, public :: use_dynamic_dt = .false.
logical, public :: variable_density_debug = .false.
integer, public :: variable_density_debug_interval = 1
character(len=name_len), public :: vtu_format = "ascii"
logical, public :: write_cantera_cache_stats = .false.
logical, public :: write_chemistry_screening_stats = .false.
logical, public :: write_diagnostics = .true.
logical, public :: write_radiation_diagnostics = .true.
logical, public :: write_restart = .false.
logical, public :: write_vtu = .true.

Subroutines

public subroutine read_case_params(filename, params)

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

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename

Path to the .nml file (usually case.nml).
type(case_params_t), intent(inout) :: params

Container to be populated with parsed values.

private subroutine open_namelist_file(filename, unit_id, ios)

Helper routine to safely open a namelist file for reading.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
integer, intent(out) :: unit_id
integer, intent(out) :: ios

private subroutine read_boundary_input(filename, params)

Reads the &boundary_input namelist block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_chemistry_input(filename, params)

Reads the optional &chemistry_input namelist block.

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_energy_input(filename, params)

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

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_fluid_input(filename, params)

Reads the &fluid_input namelist block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_ignition_input(filename, params)

Reads the optional &ignition_input namelist block.

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_mesh_input(filename, params)

Reads the &mesh_input namelist block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_output_input(filename, params)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_profiling_input(filename, params)

Reads the &profiling_input block.

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_radiation_input(filename, params)

Reads the optional &radiation_input namelist block.

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_restart_input(filename, params)

Reads the optional &restart_input block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_solver_input(filename, params)

Reads the &solver_input namelist block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_species_input(filename, params)

Reads the &species_input namelist block.

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Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine read_time_input(filename, params)

Reads the &time_input namelist block.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(case_params_t), intent(inout) :: params

private subroutine validate_advection_scheme_local(scheme_name, field_name, allow_scalar_high_order)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: scheme_name
character(len=*), intent(in) :: field_name
logical, intent(in) :: allow_scalar_high_order

private subroutine validate_boundary_arrays(params)

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

Arguments

Type IntentOptional Attributes Name
type(case_params_t), intent(in) :: params

private subroutine validate_limiter_name_local(limiter_name)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: limiter_name

private subroutine validate_params(params)

Validates all parsed parameters against physical and algorithmic limits.

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Arguments

Type IntentOptional Attributes Name
type(case_params_t), intent(in) :: params

private subroutine validate_time_scheme_local(scheme_name, field_name)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: scheme_name
character(len=*), intent(in) :: field_name