#include <QCFiles.hpp>
Definition at line 37 of file QCFiles.hpp.
Public Member Functions | |
std::string & | atomsFile (void) |
std::string | atomsFile (void) const |
const std::string & | getAtomsFile (void) const |
const std::string & | getDensityFile (void) const |
const string & | getGeneralFile (void) const |
const std::string & | getParameterFile (void) const |
const std::string & | getPartitionFile (void) const |
const std::string & | getResultFile (void) const |
std::string & | parameterFile (void) |
std::string | parameterFile (void) const |
std::string & | partitionFile (void) |
std::string | partitionFile (void) const |
QCFiles (void) | |
std::string & | resultFile (void) |
std::string | resultFile (void) const |
~QCFiles (void) | |
Private Member Functions | |
std::map< std::string, std::string * > & | getMap (void) |
Private Attributes | |
std::string | _atomsFile |
std::string | _densityFile |
std::string | _generalFile |
std::string | _parameterFile |
std::string | _partitionFile |
std::map< std::string, std::string * > | _refs |
std::string | _resultFile |
Friends | |
class | QCReader |
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Definition at line 27 of file QCFiles.cpp. References _atomsFile, _densityFile, _generalFile, _parameterFile, _partitionFile, _refs, _resultFile, QCReader::ATOMS_FILE, QCReader::DENSITY_FILE, QCReader::GENERAL_FILE, QCReader::PARAMETER_FILE, QCReader::PARTITION_FILE, and QCReader::RESULT_FILE. |
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Definition at line 40 of file QCFiles.cpp. References QC_TRACE_END. |
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Definition at line 76 of file QCFiles.hpp. References _atomsFile. |
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Definition at line 75 of file QCFiles.hpp. References _atomsFile. Referenced by main(). |
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Definition at line 74 of file QCFiles.hpp. References _atomsFile. Referenced by QCKimikaPartitioner< TPSystem >::extractDomains(), QCKimikaPartitioner< TPSystem >::init(), operator<<(), and QCKimikaPartitioner< TPSystem >::writeInventorFiles(). |
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return the name of the file which contains the global density matrix we read. Definition at line 97 of file QCFiles.hpp. References _densityFile. Referenced by operator<<(), QCGlobalSystem< TPSolver >::readDensityFromFile(), QCMDSystem< TPSolver >::readDensityFromFileAscii(), QCGlobalSystem< TPSolver >::readDensityFromFileAscii(), and QCGlobalSystem< TPSolver >::readDensityFromFileBinary(). |
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Definition at line 59 of file QCFiles.hpp. References _generalFile. Referenced by main(), and operator<<(). |
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Definition at line 110 of file QCFiles.hpp. References _refs. Referenced by QCReader::readMasterFile(). |
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Definition at line 65 of file QCFiles.hpp. References _parameterFile. Referenced by operator<<(). |
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Definition at line 90 of file QCFiles.hpp. References _partitionFile. Referenced by operator<<(), and QCPartitioner< TPSystem >::readFromFile(). |
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Return the generic name of the file for all results Definition at line 82 of file QCFiles.hpp. References _resultFile. Referenced by QCGlobalSystem< TPSolver >::writeDensityOnFileAscii(), QCGlobalSystem< TPSolver >::writeDensityOnFileBinary(), QCPartitioner< TPSystem >::writeInFile(), QCMDSystem< TPSolver >::writeSystemOnFile(), and QCGlobalSystem< TPSolver >::writeSystemOnFile(). |
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Definition at line 67 of file QCFiles.hpp. References _parameterFile. |
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Definition at line 66 of file QCFiles.hpp. References _parameterFile. Referenced by main(). |
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Definition at line 92 of file QCFiles.hpp. References _partitionFile. |
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Definition at line 91 of file QCFiles.hpp. References _partitionFile. Referenced by main(). |
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Definition at line 84 of file QCFiles.hpp. References _resultFile. |
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Definition at line 83 of file QCFiles.hpp. References _resultFile. Referenced by main(), and operator<<(). |
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Definition at line 40 of file QCFiles.hpp. |
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Definition at line 128 of file QCFiles.hpp. Referenced by atomsFile(), getAtomsFile(), and QCFiles(). |
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Density file name to initialize the density matrix. Definition at line 140 of file QCFiles.hpp. Referenced by getDensityFile(), and QCFiles(). |
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Definition at line 110 of file QCFiles.hpp. Referenced by getGeneralFile(), and QCFiles(). |
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Definition at line 124 of file QCFiles.hpp. Referenced by getParameterFile(), parameterFile(), and QCFiles(). |
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Definition at line 136 of file QCFiles.hpp. Referenced by getPartitionFile(), partitionFile(), and QCFiles(). |
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Definition at line 144 of file QCFiles.hpp. |
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Generic File Name to store all final results. Definition at line 132 of file QCFiles.hpp. Referenced by getResultFile(), QCFiles(), and resultFile(). |