QCErrorManager Class Reference

#include <QCErrorManager.hpp>

List of all members.


Detailed Description

class QCErrorManager

Definition at line 36 of file QCErrorManager.hpp.

Public Member Functions

 QCErrorManager (void)
bool writeMsg (const string &kindOfMsg, char *fmt,...) const
 ~QCErrorManager (void)

Static Public Attributes

static const char * BAD_ALLOC
static const char * BAD_ELEC_ENERGY
static const char * BAD_PARAM
static const char * CALC_NOT_AVAILABLE
static const char * DIAGO_FAILS
static const char * EMPTY_OR_FULL_SUBDOMAIN
static const char * ERROR = "Error: "
static const char * LBFGS_ABNO
static const char * LBFGS_INPUT
static const char * LBFGS_WARN
static const char * NO_COORD_LINE
static const char * NO_DIGIT
static const char * NO_FILE
static const char * NO_INFO_READ
static const char * NO_INFO_READ2
static const char * NO_LINE_OF_FORMAT
static const char * NO_MARK_CSTR
static const char * NONE = ""
static const char * NOT_ENOUGH_VALUE
static const char * NUMBER_ALREADY_USED
static const char * OPEN_FILE_FAILS
static const char * PARTITIONER_FAILS
static const char * PB_AT_COORD_NUMBER
static const char * PB_ON_PARAM_TYPE_NUMBER
static const char * PURIFICATION_FAILS
static const char * READ_PARTITION_FILE_FAILS
static const char * RENUMEROTATION_FAILS
static const char * SAME_POSITION
static const char * TMP_MEMORY
static const char * TOO_MANY_ATOMS
static const char * TOO_MANY_ORBITALS
static const char * TOO_MANY_SUBDOMAINS
static const char * TOO_MANY_SUBDOMAINS_TWO
static const char * UNDEFINED_ATOM_TYPE
static const char * UNKNOWN_KEYWORD
static const char * UNOPTIMAL_TMP_MEM
static const char * WARNING = "Warning: "


Constructor & Destructor Documentation

QCErrorManager::QCErrorManager void   )  [inline]
 

Definition at line 45 of file QCErrorManager.hpp.

QCErrorManager::~QCErrorManager void   )  [inline]
 

Definition at line 50 of file QCErrorManager.hpp.


Member Function Documentation

bool QCErrorManager::writeMsg const string &  kindOfMsg,
char *  fmt,
  ...
const
 

Writing of the error messages in the error report log of the process.

Definition at line 178 of file QCErrorManager.cpp.

References QCCommon::ErrorFile.

Referenced by QCMemory::disallocateBlockTmpMem(), QCMemory::giveBackTmpMem(), and QCMemory::updateBlockTmpMem().


Member Data Documentation

const char * QCErrorManager::BAD_ALLOC [static]
 

Initial value:

 
"The system can't allocate the amount of memory that you request.\n"

Definition at line 106 of file QCErrorManager.hpp.

Referenced by QCMemory::updateBlockTmpMem().

const char * QCErrorManager::BAD_ELEC_ENERGY [static]
 

Initial value:

 
"The electronic energy calculation fails. The result is no longer"
" a finite value.\n"

Definition at line 114 of file QCErrorManager.hpp.

const char * QCErrorManager::BAD_PARAM [static]
 

Initial value:

 
"The parameter type '%s' is incompatible with the model '%s'.\n"
Literals

Definition at line 90 of file QCErrorManager.hpp.

const char * QCErrorManager::CALC_NOT_AVAILABLE [static]
 

Initial value:

 
"The calculation type %s is not available for the model %s using "
"%s as parameters.\n"

Definition at line 104 of file QCErrorManager.hpp.

const char * QCErrorManager::DIAGO_FAILS [static]
 

Initial value:

 
"The diagonalisation calculation fails at the iteration number %d."
" Its error code is %d.\n"

Definition at line 105 of file QCErrorManager.hpp.

const char * QCErrorManager::EMPTY_OR_FULL_SUBDOMAIN [static]
 

Initial value:

 
"There is either a sub-domain empty of electrons, or a sub-domain"
" full of electrons. That threatens to compromises the stability "
"of calculations.\n"

Definition at line 119 of file QCErrorManager.hpp.

const char * QCErrorManager::ERROR = "Error: " [static]
 

Error string

Definition at line 75 of file QCErrorManager.hpp.

Referenced by QCMemory::giveBackTmpMem(), and QCMemory::updateBlockTmpMem().

const char * QCErrorManager::LBFGS_ABNO [static]
 

Initial value:

 
"The Lbfgs algorithm has terminated abnormally :"
" the output variable 'task' holds %s.\n"

Definition at line 108 of file QCErrorManager.hpp.

const char * QCErrorManager::LBFGS_INPUT [static]
 

Initial value:

 
"The Lbfgs algorithm detects an error in its input arguments :"
" the output variable 'task' holds %s. Please, check your data.\n"

Definition at line 107 of file QCErrorManager.hpp.

const char * QCErrorManager::LBFGS_WARN [static]
 

Initial value:

 
"The geometry optimisation algorithm is not able to satisfy the"
" convergence conditions: the output variable 'task' holds %s.\n"

Definition at line 109 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_COORD_LINE [static]
 

Initial value:

 
"The Reader doesn't find the line with the following keywords :"
" ATOM, 'X COORD', 'Y COORD', 'Z COORD', NUMBER, GROUP in the"
" specified order in the file %s.\n"

Definition at line 98 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_DIGIT [static]
 

Initial value:

 
"The Reader can't find any digit in the string the line after '%s'"
" in the parameters file.\n"

Definition at line 95 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_FILE [static]
 

Initial value:

 
"The file %s doesn't exist. Create it.\n"

Definition at line 91 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_INFO_READ [static]
 

Initial value:

 
"The reader doesn't read the requested informations "
"on the line after '%s' in the file %s.\n"

Definition at line 92 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_INFO_READ2 [static]
 

Initial value:

 
"The reader doesn't read the requested information after "
"the char* of characters '%s' in the file %s.\n"

Definition at line 93 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_LINE_OF_FORMAT [static]
 

Initial value:

 
"The Reader can't find a line of format '%s' in the file %s.\n"

Definition at line 96 of file QCErrorManager.hpp.

const char * QCErrorManager::NO_MARK_CSTR [static]
 

Initial value:

 
"The Reader can't find the mark string of characters '%s' in the "
"file %s. Create it or put it at the right place.\n"

Definition at line 94 of file QCErrorManager.hpp.

const char * QCErrorManager::NONE = "" [static]
 

Empty string

Definition at line 85 of file QCErrorManager.hpp.

const char * QCErrorManager::NOT_ENOUGH_VALUE [static]
 

Initial value:

 
"The Reader can't find enougth values on the coord line in the"
" file %s.\n"

Definition at line 99 of file QCErrorManager.hpp.

const char * QCErrorManager::NUMBER_ALREADY_USED [static]
 

Initial value:

 
"%d is already used as an atom number in the file %s.\n"

Definition at line 101 of file QCErrorManager.hpp.

const char * QCErrorManager::OPEN_FILE_FAILS [static]
 

Initial value:

 
"File opening for the repulsion integrals storage fails.\n"

Definition at line 113 of file QCErrorManager.hpp.

const char * QCErrorManager::PARTITIONER_FAILS [static]
 

Initial value:

 
"The partitioner fails to divide the overall atomic system in %d"
" sub-domains.\n"

Definition at line 115 of file QCErrorManager.hpp.

const char * QCErrorManager::PB_AT_COORD_NUMBER [static]
 

Initial value:

 
"Problem while reading the atomic coordinates number %d.\n"

Definition at line 100 of file QCErrorManager.hpp.

const char * QCErrorManager::PB_ON_PARAM_TYPE_NUMBER [static]
 

Initial value:

 
"Problem on the parameter type number %d.\n"

Definition at line 97 of file QCErrorManager.hpp.

const char * QCErrorManager::PURIFICATION_FAILS [static]
 

Initial value:

 
"The purification process which tends to return the matrix idempotent, "
"has reached its maximum number of %d iterations. It lets the "
"purification value to %f.\n"

Definition at line 122 of file QCErrorManager.hpp.

const char * QCErrorManager::READ_PARTITION_FILE_FAILS [static]
 

Initial value:

 
"QC++ fails to read the partition file because the number of sub-domains"
" %d is different from the number written in the generalities file.\n"

Definition at line 116 of file QCErrorManager.hpp.

const char * QCErrorManager::RENUMEROTATION_FAILS [static]
 

Initial value:

 
"The renumerotation fails because there are at least two minimal"
" identical eigenvalues in absolute value : %d.\n"

Definition at line 117 of file QCErrorManager.hpp.

const char * QCErrorManager::SAME_POSITION [static]
 

Initial value:

 
"The atoms number %d and number %d are at the same position.\n"

Definition at line 123 of file QCErrorManager.hpp.

const char * QCErrorManager::TMP_MEMORY [static]
 

Initial value:

 
"Incorrect use of the temporary memory manager.\n"

Definition at line 111 of file QCErrorManager.hpp.

Referenced by QCMemory::giveBackTmpMem().

const char * QCErrorManager::TOO_MANY_ATOMS [static]
 

Initial value:

 
"The number of atoms is %d and exceeds the maximum allowed number: %d.\n"

Definition at line 118 of file QCErrorManager.hpp.

const char * QCErrorManager::TOO_MANY_ORBITALS [static]
 

Initial value:

 
"The number of atomic orbitals is %d and exceeds the maximum"
" allowed number : %d.\n"

Definition at line 110 of file QCErrorManager.hpp.

const char * QCErrorManager::TOO_MANY_SUBDOMAINS [static]
 

Initial value:

 
"The partitioner fails to divide the overall atomic system in %d "
"sub-domains because the number of subdomains is higher than the "
"number of atoms : %d.\n"

Definition at line 120 of file QCErrorManager.hpp.

const char * QCErrorManager::TOO_MANY_SUBDOMAINS_TWO [static]
 

Initial value:

 
"The partitioner fails to divide the overall atomic system in %d "
"sub-domains because the number of subdomains is too important and"
" the diameter of overlap regions is too small.\n"

Definition at line 121 of file QCErrorManager.hpp.

const char * QCErrorManager::UNDEFINED_ATOM_TYPE [static]
 

Initial value:

 
"The atom type `%s' mentioned for the atom number `%d' in the"
" file `%s' is undefined.\n"

Definition at line 102 of file QCErrorManager.hpp.

const char * QCErrorManager::UNKNOWN_KEYWORD [static]
 

Initial value:

 
"The %s `%s' is unknown."

Definition at line 103 of file QCErrorManager.hpp.

const char * QCErrorManager::UNOPTIMAL_TMP_MEM [static]
 

Initial value:

 
"Unoptimal use of the temporary memory manager. Write other calls to"
" the CQCMemory::updateBlockTmpMem method in the source code.\n"

Definition at line 112 of file QCErrorManager.hpp.

Referenced by QCMemory::disallocateBlockTmpMem().

const char * QCErrorManager::WARNING = "Warning: " [static]
 

Warning string

Definition at line 80 of file QCErrorManager.hpp.

Referenced by QCMemory::disallocateBlockTmpMem().


The documentation for this class was generated from the following files:
Generated on Sat Jan 28 21:07:33 2006 for QC++ by  doxygen 1.4.4