Public Member Functions | Protected Attributes | List of all members
psi::USolver Class Reference

#include <solver.h>

Inheritance diagram for psi::USolver:
psi::Solver psi::DLUSolver

Public Member Functions

 USolver (std::shared_ptr< UHamiltonian > H)
 Reference to underlying RHamiltonian. More...
 ~USolver () override
 Destructor. More...
void set_Hamiltonian (std::shared_ptr< UHamiltonian > H)
std::shared_ptr< UHamiltonianH () const
- Public Member Functions inherited from psi::Solver
 Solver ()
 Default Constructor. More...
virtual ~Solver ()
 Destructor. More...
void set_precondition (const std::string &precondition)
 Set precondition type (specific to solver type) More...
void set_memory (size_t memory)
 Set maximum vector storage space (defaults to 0 MB => Unlimited storage) More...
void set_maxiter (int maxiter)
 Set maximum number of iterations (defaults to 100) More...
void set_convergence (double criteria)
 Set convergence criteria (defaults to 1.0E-6) More...
void set_print (int print)
 Print flag (defaults to 1) More...
void set_debug (int debug)
 Debug flag (defaults to 0) More...
void set_bench (int bench)
 Bench flag (defaults to 0) More...
int iteration () const
 What iteration is it? More...
bool converged () const
 Did the solver converge? More...
virtual void print_header () const =0
virtual size_t memory_estimate ()=0
 Estimate of maximum memory usage (in doubles) More...
virtual void initialize ()=0
virtual void solve ()=0
virtual void finalize ()=0

Protected Attributes

std::shared_ptr< UHamiltonianH_
 Reference to underlying UHamiltonian. More...
- Protected Attributes inherited from psi::Solver
int print_
 Print flag, defaults to 1. More...
int debug_
 Debug flag, defaults to 0. More...
int bench_
 Bench flag, defaults to 0. More...
std::string name_
 Name of solver (set by subclasses) More...
size_t memory_
 Memory available, in doubles, defaults to 0 => Unlimited storage. More...
double criteria_
 Convergence criteria, defaults to 1.0E-6. More...
int maxiter_
 Maximum number of iterations, defaults to 100. More...
bool converged_
 Converged or not? More...
double convergence_
 Convergence measure at this iteration. More...
int iteration_
 Current iteration count. More...
std::string precondition_
 Preconditioner type. More...

Additional Inherited Members

- Protected Member Functions inherited from psi::Solver
void common_init ()
 Common initialization. More...

Constructor & Destructor Documentation

psi::USolver::USolver ( std::shared_ptr< UHamiltonian H)

Reference to underlying RHamiltonian.

psi::USolver::~USolver ( )


Member Function Documentation

std::shared_ptr<UHamiltonian> psi::USolver::H ( ) const

Pointer to the Hamiltonian object

current UHamiltonian object
void psi::USolver::set_Hamiltonian ( std::shared_ptr< UHamiltonian H)

Knob to swap out a Hamiltonian object

Hnew UHamiltonian object

Member Data Documentation

std::shared_ptr<UHamiltonian> psi::USolver::H_

Reference to underlying UHamiltonian.

The documentation for this class was generated from the following files: