Psi4
Public Member Functions | Private Attributes | List of all members
psi::ConvergenceError< T > Class Template Reference

#include <exception.h>

Inheritance diagram for psi::ConvergenceError< T >:
psi::MaxIterationsExceeded< T > psi::LimitExceeded< T > psi::PsiException

Public Member Functions

 ConvergenceError (std::string routine_name, T max, double desired_accuracy, double actual_accuracy, const char *file, int line) throw ()
 
double desired_accuracy () const throw ()
 
double actual_accuracy () const throw ()
 
virtual ~ConvergenceError () throw ()
 
template<>
 ConvergenceError (string routine_name, int max, double _desired_accuracy, double _actual_accuracy, const char *_file, int _line) throw()
 
template<>
 ~ConvergenceError () throw()
 
template<>
double desired_accuracy () const throw()
 
template<>
double actual_accuracy () const throw()
 
- Public Member Functions inherited from psi::MaxIterationsExceeded< T >
 MaxIterationsExceeded (std::string routine_name, T max, const char *file, int line) throw ()
 
virtual ~MaxIterationsExceeded () throw ()
 
- Public Member Functions inherited from psi::LimitExceeded< T >
 LimitExceeded (std::string resource_name, T maxval, T errorval, const char *f, int l) throw ()
 
T max_value () const throw ()
 
T actual_value () const throw ()
 
virtual ~LimitExceeded () throw ()
 
- Public Member Functions inherited from psi::PsiException
 PsiException (std::string message, const char *file, int line) throw ()
 
 PsiException (const PsiException &copy) throw ()
 
virtual ~PsiException () throw ()
 
PsiExceptionoperator= (const PsiException &other)
 
const char * what () const throw ()
 
const char * file () const throw ()
 
const char * location () const throw ()
 
int line () const throw ()
 

Private Attributes

double desired_acc_
 
double actual_acc_
 

Additional Inherited Members

- Protected Member Functions inherited from psi::LimitExceeded< T >
const char * description () const throw ()
 
- Protected Member Functions inherited from psi::PsiException
void rewrite_msg (std::string msg) throw ()
 

Detailed Description

template<class T = int>
class psi::ConvergenceError< T >

Convergence error for routines

Constructor & Destructor Documentation

template<class T = int>
psi::ConvergenceError< T >::ConvergenceError ( std::string  routine_name,
T  max,
double  desired_accuracy,
double  actual_accuracy,
const char *  file,
int  line 
)
throw (
)

Constructor

Parameters
routine_nameThe name of the routine that is not converging (e.g. scf, ccsd, optking disp)
maxThe max number of iterations
desired_accuracyThe accuracy you want to achieve
actual_accuracyThe actual accuracy achieved
fileThe file that threw the exception (use FILE macro)
lineThe line number that threw the exception (use LINE macro)
template<class T >
psi::ConvergenceError< T >::~ConvergenceError ( )
throw (
)
virtual
template<>
psi::ConvergenceError< int >::ConvergenceError ( string  routine_name,
int  max,
double  _desired_accuracy,
double  _actual_accuracy,
const char *  _file,
int  _line 
)
throw(
)
template<>
psi::ConvergenceError< int >::~ConvergenceError ( )
throw(
)

Member Function Documentation

template<>
double psi::ConvergenceError< int >::actual_accuracy ( ) const
throw(
)
template<class T >
double psi::ConvergenceError< T >::actual_accuracy ( ) const
throw (
)

Accessor method

Returns
The accuracy you actually got
template<>
double psi::ConvergenceError< int >::desired_accuracy ( ) const
throw(
)
template<class T >
double psi::ConvergenceError< T >::desired_accuracy ( ) const
throw (
)

Accessor method

Returns
The accuracy you wish to achieve

Member Data Documentation

template<class T = int>
double psi::ConvergenceError< T >::actual_acc_
private
template<class T = int>
double psi::ConvergenceError< T >::desired_acc_
private

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