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

Private Attributes

double desired_acc_
 
double actual_acc_
 

Additional Inherited Members

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

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,
max,
double  desired_accuracy,
double  actual_accuracy,
const char *  file,
int  line 
)
inlinenoexcept

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 = int>
psi::ConvergenceError< T >::~ConvergenceError ( )
inlineoverridenoexcept

Member Function Documentation

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

Accessor method

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

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 file: