Psi4
Public Member Functions | Protected Attributes | List of all members
psi::CholeskyMP2 Class Reference

#include <cholesky.h>

Inheritance diagram for psi::CholeskyMP2:
psi::Cholesky

Public Member Functions

 CholeskyMP2 (SharedMatrix Qia, std::shared_ptr< Vector > eps_aocc, std::shared_ptr< Vector > eps_avir, bool symmetric, double delta, unsigned long int memory)
 
virtual ~CholeskyMP2 ()
 
virtual size_t N ()
 Dimension of the original square tensor, provided by the subclass. More...
 
virtual void compute_diagonal (double *target)
 Diagonal of the original square tensor, provided by the subclass. More...
 
virtual void compute_row (int row, double *target)
 Row row of the original square tensor, provided by the subclass. More...
 
- Public Member Functions inherited from psi::Cholesky
 Cholesky (double delta, unsigned long int memory)
 
virtual ~Cholesky ()
 Destructor, resets L_. More...
 
virtual void choleskify ()
 Perform the cholesky decomposition (requires 2QN memory) More...
 
SharedMatrix L () const
 Shared pointer to decomposition (Q x N), if choleskify() called. More...
 
size_t Q () const
 Number of columns required to reach accuracy delta, if choleskify() called. More...
 
double delta () const
 Maximum Chebyshev error allowed in the decomposition. More...
 

Protected Attributes

bool symmetric_
 
SharedMatrix Qia_
 
std::shared_ptr< Vectoreps_aocc_
 
std::shared_ptr< Vectoreps_avir_
 
- Protected Attributes inherited from psi::Cholesky
double delta_
 Maximum Chebyshev error allowed in the decomposition. More...
 
unsigned long int memory_
 Maximum memory to use, in doubles. More...
 
SharedMatrix L_
 Full L (Q x n), if choleskify() called() More...
 
size_t Q_
 Number of columns required, if choleskify() called. More...
 

Constructor & Destructor Documentation

psi::CholeskyMP2::CholeskyMP2 ( SharedMatrix  Qia,
std::shared_ptr< Vector eps_aocc,
std::shared_ptr< Vector eps_avir,
bool  symmetric,
double  delta,
unsigned long int  memory 
)
psi::CholeskyMP2::~CholeskyMP2 ( )
virtual

Member Function Documentation

void psi::CholeskyMP2::compute_diagonal ( double *  target)
virtual

Diagonal of the original square tensor, provided by the subclass.

Implements psi::Cholesky.

void psi::CholeskyMP2::compute_row ( int  row,
double *  target 
)
virtual

Row row of the original square tensor, provided by the subclass.

Implements psi::Cholesky.

size_t psi::CholeskyMP2::N ( )
virtual

Dimension of the original square tensor, provided by the subclass.

Implements psi::Cholesky.

Member Data Documentation

std::shared_ptr<Vector> psi::CholeskyMP2::eps_aocc_
protected
std::shared_ptr<Vector> psi::CholeskyMP2::eps_avir_
protected
SharedMatrix psi::CholeskyMP2::Qia_
protected
bool psi::CholeskyMP2::symmetric_
protected

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