#include <QCErrorManager.hpp>
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: " |
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Definition at line 45 of file QCErrorManager.hpp. |
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Definition at line 50 of file QCErrorManager.hpp. |
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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(). |
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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(). |
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Initial value: "The electronic energy calculation fails. The result is no longer" " a finite value.\n" Definition at line 114 of file QCErrorManager.hpp. |
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Initial value:
"The parameter type '%s' is incompatible with the model '%s'.\n"
Definition at line 90 of file QCErrorManager.hpp. |
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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. |
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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. |
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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. |
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Error string Definition at line 75 of file QCErrorManager.hpp. Referenced by QCMemory::giveBackTmpMem(), and QCMemory::updateBlockTmpMem(). |
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Initial value: "The Lbfgs algorithm has terminated abnormally :" " the output variable 'task' holds %s.\n" Definition at line 108 of file QCErrorManager.hpp. |
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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. |
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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. |
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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. |
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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. |
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Initial value:
"The file %s doesn't exist. Create it.\n"
Definition at line 91 of file QCErrorManager.hpp. |
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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. |
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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. |
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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. |
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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. |
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Empty string Definition at line 85 of file QCErrorManager.hpp. |
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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. |
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Initial value:
"%d is already used as an atom number in the file %s.\n"
Definition at line 101 of file QCErrorManager.hpp. |
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Initial value:
"File opening for the repulsion integrals storage fails.\n"
Definition at line 113 of file QCErrorManager.hpp. |
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Initial value: "The partitioner fails to divide the overall atomic system in %d" " sub-domains.\n" Definition at line 115 of file QCErrorManager.hpp. |
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Initial value:
"Problem while reading the atomic coordinates number %d.\n"
Definition at line 100 of file QCErrorManager.hpp. |
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Initial value:
"Problem on the parameter type number %d.\n"
Definition at line 97 of file QCErrorManager.hpp. |
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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. |
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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. |
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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. |
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Initial value:
"The atoms number %d and number %d are at the same position.\n"
Definition at line 123 of file QCErrorManager.hpp. |
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Initial value:
"Incorrect use of the temporary memory manager.\n"
Definition at line 111 of file QCErrorManager.hpp. Referenced by QCMemory::giveBackTmpMem(). |
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Initial value:
"The number of atoms is %d and exceeds the maximum allowed number: %d.\n"
Definition at line 118 of file QCErrorManager.hpp. |
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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. |
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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. |
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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. |
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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. |
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Initial value:
"The %s `%s' is unknown."
Definition at line 103 of file QCErrorManager.hpp. |
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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(). |
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Warning string Definition at line 80 of file QCErrorManager.hpp. Referenced by QCMemory::disallocateBlockTmpMem(). |