#include <time.h>
#include <unistd.h>
#include <limits.h>
#include <sstream>
#include "QCCommon.hpp"
Include dependency graph for QCCommon.cpp:
Go to the source code of this file.
Functions | |
map< string, QCComputation > | initComputation (void) |
map< string, QCInitDensityMatrix > | initDensityMethod (void) |
map< string, QCDerivShiftBhvr > | initDerivBhvr (void) |
map< string, QCDerivationType > | initDerivType (void) |
map< string, QCDiagoAlgorithm > | initDiago (void) |
map< string, QCIntgAcquisitionMethod > | initIntgMethod (void) |
map< string, QCMainAlgorithm > | initMainAlgo (void) |
map< string, QCModelType > | initModel (void) |
map< string, QCParameterType > | initParam (void) |
map< string, QCPartitionerType > | initPartitionerTypes (void) |
map< string, QCPartitionType > | initPartTypes (void) |
map< QCSubDomainZone, string > | initZones (void) |
Variables | |
char * | env = getenv("QCPPUSERDIR") |
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Computation Definition at line 75 of file QCCommon.cpp. References QCCommon::EnergyDerivStr, QCCommon::EnergyStr, QC_ENERGY, QC_ENERGY_DERIV, QC_TOOLS, and QCCommon::ToolsStr. |
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Definition at line 153 of file QCCommon.cpp. References QCCommon::initDiagStr, QCCommon::initFileStr, QC_DENSITY_DIAG, and QC_DENSITY_FROM_FILE. |
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Derivation shift behavior Definition at line 186 of file QCCommon.cpp. References QCCommon::ComputedStr, QCCommon::ConstantStr, QC_COMPUTED, and QC_CONSTANT. |
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Derivation type Definition at line 168 of file QCCommon.cpp. References QCCommon::AnalyticalDerivationStr, QCCommon::NumericalDerivationStr, QC_ANALYTICAL_DERIVATION, and QC_NUMERICAL_DERIVATION. |
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Diagonalisation algorithm Definition at line 121 of file QCCommon.cpp. References QCCommon::ClassicDiagoStr, QCCommon::DCDiagoStr, QC_CLASSIC_DIAGO, and QC_DC_DIAGO. |
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Integral acquisition method Definition at line 139 of file QCCommon.cpp. References QCCommon::DirectComputationStr, QCCommon::IndirectStorageStr, QC_DIRECT_COMPUTATION, and QC_INDIRECT_STORAGE. |
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Main algorithm Definition at line 95 of file QCCommon.cpp. References QCCommon::DCLevelShiftingStr, QCCommon::DCOptimalDampingStr, QCCommon::DCSCFStr, QCCommon::LevelShiftingStr, QCCommon::OptimalDampingStr, QC_DC_LEVEL_SHIFTING, QC_DC_OPTIMAL_DAMPING, QC_DC_SCF, QC_LEVEL_SHIFTING, QC_OPTIMAL_DAMPING, QC_SCF, and QCCommon::SCFStr. |
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Model Definition at line 35 of file QCCommon.cpp. References QCCommon::Am1Str, QCCommon::MndoStr, QCCommon::Pm3Str, QC_AM1_MODEL, QC_MNDO_MODEL, and QC_PM3_MODEL. |
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Model parameters Definition at line 55 of file QCCommon.cpp. References QCCommon::Am1ParamStr, QCCommon::MndoParamStr, QCCommon::Pm3ParamStr, QC_AM1_PARAM, QC_MNDO_PARAM, and QC_PM3_PARAM. |
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Partitioner types Definition at line 239 of file QCCommon.cpp. References QCCommon::KimikaStr, QCCommon::LinearStr, QC_KIMIKA, and QC_LINEAR. |
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Partition types Definition at line 222 of file QCCommon.cpp. References QCCommon::DixonPartStr, QC_DIXON_PART, QC_STANDARD_PART, and QCCommon::StandardPartStr. |
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Domain zones Definition at line 203 of file QCCommon.cpp. References QCCommon::CoreZoneStr, QC_CORE, QC_SHELL1, QC_SHELL2, QCCommon::Shell1ZoneStr, and QCCommon::Shell2ZoneStr. |
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Definition at line 263 of file QCCommon.cpp. |