Psi4
Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
psi::Hamiltonian Class Referenceabstract

#include <hamiltonian.h>

Inheritance diagram for psi::Hamiltonian:
psi::RHamiltonian psi::UHamiltonian psi::CISRHamiltonian psi::CPHFRHamiltonian psi::MatrixRHamiltonian psi::TDHFRHamiltonian psi::MatrixUHamiltonian psi::USTABHamiltonian psi::TDARHamiltonian psi::CPKSRHamiltonian psi::TDDFTRHamiltonian

Public Member Functions

 Hamiltonian (std::shared_ptr< JK > jk)
 
 Hamiltonian (std::shared_ptr< JK > jk, std::shared_ptr< VBase > v)
 
virtual ~Hamiltonian ()
 Destructor. More...
 
std::shared_ptr< JKjk () const
 
std::shared_ptr< VBasev () const
 
virtual void print_header () const =0
 
void set_JK (std::shared_ptr< JK > jk)
 
void set_V (std::shared_ptr< VBase > v)
 
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...
 
void set_exact_diagonal (bool diag)
 User the exact diagonal, if available? (defaults to false) More...
 

Protected Member Functions

void common_init ()
 

Protected Attributes

int print_
 Print flag, defaults to 1. More...
 
int debug_
 Debug flag, defaults to 0. More...
 
int bench_
 Bench flag, defaults to 0. More...
 
bool exact_diagonal_
 Use exact diagonal, if available? More...
 
std::shared_ptr< JKjk_
 jk object More...
 
std::shared_ptr< VBasev_
 v object More...
 

Constructor & Destructor Documentation

psi::Hamiltonian::Hamiltonian ( std::shared_ptr< JK jk)
psi::Hamiltonian::Hamiltonian ( std::shared_ptr< JK jk,
std::shared_ptr< VBase v 
)
psi::Hamiltonian::~Hamiltonian ( )
virtual

Destructor.

Member Function Documentation

void psi::Hamiltonian::common_init ( void  )
protected
std::shared_ptr<JK> psi::Hamiltonian::jk ( ) const
inline

Pointer to the JK object

Returns
current JK object
virtual void psi::Hamiltonian::print_header ( ) const
pure virtual
void psi::Hamiltonian::set_bench ( int  bench)
inline

Bench flag (defaults to 0)

void psi::Hamiltonian::set_debug ( int  debug)
inline

Debug flag (defaults to 0)

void psi::Hamiltonian::set_exact_diagonal ( bool  diag)
inline

User the exact diagonal, if available? (defaults to false)

void psi::Hamiltonian::set_JK ( std::shared_ptr< JK jk)
inline

Knob to swap out a JK object

Parameters
jknew JK object
void psi::Hamiltonian::set_print ( int  print)
inline

Print flag (defaults to 1)

void psi::Hamiltonian::set_V ( std::shared_ptr< VBase v)
inline

Knob to swap out a V object

Parameters
vnew V object
std::shared_ptr<VBase> psi::Hamiltonian::v ( ) const
inline

Pointer to the V object

Returns
current VBase object

Member Data Documentation

int psi::Hamiltonian::bench_
protected

Bench flag, defaults to 0.

int psi::Hamiltonian::debug_
protected

Debug flag, defaults to 0.

bool psi::Hamiltonian::exact_diagonal_
protected

Use exact diagonal, if available?

std::shared_ptr<JK> psi::Hamiltonian::jk_
protected

jk object

int psi::Hamiltonian::print_
protected

Print flag, defaults to 1.

std::shared_ptr<VBase> psi::Hamiltonian::v_
protected

v object


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