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driver_structs.hpp
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rSPECMICP SpecMiCP / ReactMiCP
driver_structs.hpp
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#ifndef SPECMICP_DFPMSOLVER_DRIVERSTRUCTS_HPP
#define SPECMICP_DFPMSOLVER_DRIVERSTRUCTS_HPP
#include "common.hpp"
#include "utils/sparse_solvers/sparse_solver_structs.hpp"
namespace
specmicp
{
namespace
dfpmsolver
{
//! \brief Options of a driver
//!
struct
DriverOptions
{
scalar_t
residuals_tolerance
;
//!< Tolerance for the residual
scalar_t
step_tolerance
;
//!< Tolerance for the minimum step length
scalar_t
threshold_stationary_point
;
//!< if ||R||>threshold, the point is classified as stationary
int
maximum_iterations
;
//!< Maximum iterations allowed
scalar_t
maximum_step_length
;
//!< Maximum step length allowed
int
max_iterations_at_max_length
;
//!< Maximum number of iterations at maximum step length
scalar_t
coeff_accept_newton_step
;
//!< Accept Newton step if enough progress is made
sparse_solvers
::
SparseSolver
sparse_solver
;
//!< The sparse solver to use
DriverOptions
()
:
residuals_tolerance
(
5e-5
),
step_tolerance
(
1e-10
),
threshold_stationary_point
(
1e-4
),
maximum_iterations
(
200
),
maximum_step_length
(
1e3
),
max_iterations_at_max_length
(
50
),
coeff_accept_newton_step
(
0.9
),
sparse_solver
(
sparse_solvers
::
SparseSolver
::
SparseQR
)
{}
};
//! \brief Performance of a driver
struct
DriverPerformance
{
int
nb_call_residuals
;
int
nb_call_jacobian
;
int
nb_iterations
;
int
nb_consecutive_max_step_taken
;
int
nb_max_step_taken
;
bool
maximum_step_taken
;
scalar_t
current_residual
;
scalar_t
current_update
;
};
}
// end namespace dfpmsolver
}
// end namespace specmicp
#endif
// SPECMICP_DFPMSOLVER_DRIVERSTRUCTS_HPP
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