forked from lijiext/lammps
106 lines
2.2 KiB
C
106 lines
2.2 KiB
C
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#ifndef NON_LINEAR_SOLVER_H
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#define NON_LINEAR_SOLVER_H
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// ATC includes
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#include "ATC_TypeDefs.h"
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#include "MatrixLibrary.h"
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#include "ATC_Error.h"
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// other includes
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#include <set>
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#include <map>
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namespace ATC {
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/**
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* @class TangentOperator
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* @brief an adaptor to allow NonLinearSolver to work with a generic function
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*/
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class TangentOperator {
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public:
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TangentOperator(){};
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virtual ~TangentOperator(){};
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virtual void function(const VECTOR & x, DENS_VEC & f) {}; // =0;
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virtual void tangent(const VECTOR & x, DENS_VEC & f, MATRIX & dfdx) =0;
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//virtual void function(const VECTOR & x, VECTOR & f) {}; // =0;
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//virtual void tangent(const VECTOR & x, VECTOR & f, MATRIX & dfdx) {}; // =0;
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};
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/**
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* @class NonLinearSolver
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* @brief a class to solve a system of non-linear equations
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* f(x) = 0
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*/
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class NonLinearSolver {
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public:
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enum NonLinearSolveType {
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NEWTON_RAPHSON=0,
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};
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/** Constructor */
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NonLinearSolver(
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TangentOperator * f, // provides f and f' at x, pointer for polymorphism
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const BC_SET * bcs = NULL,
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const int dof = 0,
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bool parallel = false
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);
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/** Destructor */
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virtual ~NonLinearSolver() {};
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/** residual norm */
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double residual_norm(VECTOR & x);
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/** solve */
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bool solve(VECTOR & x); // incoming: initial guess, outgoing: solution
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/** line search */
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bool line_search(VECTOR & x);
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/** access to current state */
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DENS_MAT & tangent() { return A_;}
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DENS_VEC & residual() { return r_;}
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/** change solver parameters */
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void set_max_iterations(const int maxIter) { maxIterations_=maxIter; }
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void set_residual_tolerance(const double tol) { tol_=tol;}
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void set_solution_tolerance(const double tol) { tolx_=tol;}
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protected:
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/** function & tangent */
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TangentOperator * f_;
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DENS_VEC r_;
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DENS_MAT A_;
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DENS_VEC dx_;
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/** equality constraints */
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const BC_SET * bcs_;
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/** degree of freedom */
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int dof_;
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/** flavors */
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int solverType_;
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/** state */
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double rNorm0_, rNorm0P_, rNorm_, rNormP_;
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/** parameters & tolerances */
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double tol_; // tolerance on f
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double tolx_; // tolerance on dx
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double tol0_; // tolerance on initial f
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int maxIterations_;
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/** run solve in parallel */
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bool parallel_;
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};
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} // namespace ATC
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#endif
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