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specmicp/src/reactmicp/systems/saturated_diffusion/reactive_transport_solver_structs.hpp
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reactive_transport_solver_structs.hpp
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#ifndef SPECMICP_REACTMICP_SATURATED_DIFFUSION_OPTIONS_HPP
#define SPECMICP_REACTMICP_SATURATED_DIFFUSION_OPTIONS_HPP
#include "common.hpp"
#include "dfpmsolver/parabolic_structs.hpp"
#include "micpsolver/micpsolver_structs.hpp"
#include "specmicp/reduced_system_solver.hpp"
namespace specmicp {
namespace reactmicp {
namespace systems {
namespace siasaturated {
//! \brief Return codes for the SIASaturatedReactiveTransportSolver
enum class SIASaturatedReactiveTransportSolverReturnCode {
LolThatsNotSuposedToHappen = -30, //!< Well, have fun debugging that...
// Transport error codes
ErrorInTransport = -20, //!< Error in the transport solver
MaxIterationsInTransport = -21, //!< Maximum iterations reached in the transport solver
StationaryPointsInTransport = -22, //!< Stationnary points in the transport solver
// Speciation error codes
ErrorInSpeciation = -10, //!< Error in the speciation solver
MaxIterationsInSpeciation = -11, //!< Maximum iterations reached in the speciation solver
StationaryPointsInSpeciation = -12, //!< Stationnary points in the speciation solver
// Coupling algorithm
MaxIterations = -1, //!< Maximum iterations of the coupling solver
StationaryPoints = -2, //!< Stationary points reached in the coupling solver
// The good ones
NotConvergedYet = 0, //!< Problem is not converged yet
Success = 1 //!< The problem is succesfully solved
};
//! \brief Options for the SIASaturatedReactiveTransportSolver
struct SIASaturatedReactiveTransportSolverOptions
{
int max_iterations; //!< Maximum number of fixed-point iterations
scalar_t residual_tolerance; //!< The tolerance for fixed-point convergence
scalar_t absolute_residual_tolerance; //!< Absolute tolerance to use
scalar_t good_enough_transport_residual_tolerance; //!< If transport failed, this value is used to check if it is 'good' enough
scalar_t threshold_update_transport; //!< Threshold to accept a step if the update is too small
scalar_t threshold_update_disable_speciation; //!< Threshold to disable next computation of speciation at a node
scalar_t relative_update; //!< To compute a new update threshold
bool use_consistent_velocity; //!< True to compute residuals using speciation velocity
bool use_previous_flux; //!< Use flux of previous timestep to accelerate the computation when possible
bool speciation_for_solid_only; //!< Compute speciation only when there are some solids left
bool sparse_qr_fallback; //!< use sparse qr if linear system could not be solved
bool disable_speciation_no_solid; //!< Disable speciation when no solid is left
dfpmsolver::ParabolicDriverOptions transport_options; //!< Options to use for the transport solver
specmicp::ReducedSystemSolverOptions speciation_options; //!< Options for the speciation solver
SIASaturatedReactiveTransportSolverOptions():
max_iterations(50),
residual_tolerance(1e-3),
absolute_residual_tolerance(1e-8),
good_enough_transport_residual_tolerance(1e-2),
threshold_update_transport(1e-10),
threshold_update_disable_speciation(1e-10),
use_consistent_velocity(false),
use_previous_flux(false),
speciation_for_solid_only(false),
sparse_qr_fallback(true),
disable_speciation_no_solid(false)
{}
//! \brief Use a sequential non-iterative algorithm
void use_snia() {max_iterations=1;}
//! \brief Return true if snia is used
bool snia() {return max_iterations == 1;}
//! \brief Use a sequential iterative algorithm
void use_sia(int nb_iter=50) {max_iterations=nb_iter;}
//! \brief Set the tolerance
void set_tolerance(scalar_t tol) {residual_tolerance = tol;}
};
struct SIASaturatedReactiveTransportSolverPerformance
{
index_t nb_iterations;
index_t nb_iterations_transport;
index_t nb_iterations_chemistry;
scalar_t current_residual;
scalar_t previous_update;
index_t error_transport_linearsystem;
SIASaturatedReactiveTransportSolverPerformance():
nb_iterations(0),
nb_iterations_transport(0),
nb_iterations_chemistry(0),
current_residual(-1.0),
previous_update(0),
error_transport_linearsystem(0)
{}
};
} // end namespace siasaturated
} // end namespace systems
} // end namespace reactmicp
} // end namespace specmicp
#endif // SPECMICP_REACTMICP_SATURATED_DIFFUSION_OPTIONS_HPP
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