#include <QCGeneralData.hpp>
class QCGeneralData
Definition at line 39 of file QCGeneralData.hpp.
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Definition at line 132 of file QCGeneralData.cpp. References QC_TRACE_END. |
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Definition at line 211 of file QCGeneralData.hpp. References buffDiameter. Referenced by QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 94 of file QCGeneralData.hpp. References computationType. Referenced by QCModelMatrices::allocateMatrices(), QCMDSystem< TPSolver >::init(), QCGlobalSystem< TPSolver >::init(), operator<<(), and QCManager< TPModel, TPSystem >::runComputations(). |
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Definition at line 104 of file QCGeneralData.hpp. References computationType. Referenced by operator<<(). |
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Definition at line 217 of file QCGeneralData.hpp. References cutRadius. Referenced by QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 196 of file QCGeneralData.hpp. References deltaQ. Referenced by QCGlobalSystem< TPSolver >::computeEnergyDerivatives(), QCMndo::deriveCoreEnergy(), and operator<<(). |
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Definition at line 170 of file QCGeneralData.hpp. References derivationType. Referenced by QCModelMatrices::allocateMatrices(), QCMndo::deriveElecEnergy(), and operator<<(). |
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Definition at line 176 of file QCGeneralData.hpp. References derivationType. Referenced by operator<<(). |
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Definition at line 183 of file QCGeneralData.hpp. References derivShiftBhvr. Referenced by operator<<(). |
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Definition at line 189 of file QCGeneralData.hpp. References derivShiftBhvr. |
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Definition at line 123 of file QCGeneralData.hpp. References diagoAlgorithm. Referenced by QCSCFBaseAlgo::init(), and operator<<(). |
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Definition at line 129 of file QCGeneralData.hpp. References diagoAlgorithm. Referenced by operator<<(). |
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Definition at line 163 of file QCGeneralData.hpp. References energyNbMaxIter. Referenced by QCSCFBaseAlgo::init(), and operator<<(). |
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Definition at line 156 of file QCGeneralData.hpp. References energyThreshold. Referenced by QCSCFBaseAlgo::init(), and operator<<(). |
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Definition at line 277 of file QCGeneralData.hpp. References initDensityMatrix. Referenced by QCModelMatrices::buildMatrices(), and operator<<(). |
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Definition at line 280 of file QCGeneralData.hpp. References initDensityMatrix. Referenced by operator<<(). |
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Definition at line 143 of file QCGeneralData.hpp. References intgAcquisitionMethod. Referenced by QCModelMatrices::buildMatrices(), QCFockGtr< TPMatrix >::completeElems(), QCMDSystem< TPSolver >::completeFockMatricesAndElecEnergy(), operator<<(), and QCModelMatrices::prepareIterations(). |
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Definition at line 149 of file QCGeneralData.hpp. References intgAcquisitionMethod. Referenced by operator<<(). |
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Definition at line 110 of file QCGeneralData.hpp. References mainAlgorithm. Referenced by QCModelMatrices::allocateMatrices(), QCSCFBaseAlgo::init(), and operator<<(). |
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Definition at line 116 of file QCGeneralData.hpp. References mainAlgorithm. Referenced by QCMDSystem< TPSolver >::checkData(), and operator<<(). |
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Definition at line 295 of file QCGeneralData.hpp. References refs. Referenced by QCReader::readGeneralFile(). |
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Definition at line 70 of file QCGeneralData.hpp. References modelType. Referenced by operator<<(). |
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Definition at line 76 of file QCGeneralData.hpp. References modelType. Referenced by operator<<(). |
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Definition at line 202 of file QCGeneralData.hpp. References nbPartitions. Referenced by QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 83 of file QCGeneralData.hpp. References parameterType. Referenced by operator<<(). |
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Definition at line 89 of file QCGeneralData.hpp. References parameterType. Referenced by operator<<(). |
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Definition at line 265 of file QCGeneralData.hpp. References partitionerType. Referenced by QCMDSystem< TPSolver >::allocatePartitioner(). |
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Definition at line 270 of file QCGeneralData.hpp. References partitionerType. |
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Definition at line 245 of file QCGeneralData.hpp. References partitionType. Referenced by QCHamiltonGtr< TPMatrix >::completeElems(), QCFockGtr< TPMatrix >::completeElems(), QCHamiltonGtr< TPMatrix >::computeElems(), QCSubDomain::fillWeight(), QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 253 of file QCGeneralData.hpp. References partitionType. Referenced by QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 136 of file QCGeneralData.hpp. References shiftingLevelParameter. Referenced by QCSCFBaseAlgo::init(), and operator<<(). |
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Definition at line 64 of file QCGeneralData.hpp. References _DCcomputational. |
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Definition at line 62 of file QCGeneralData.hpp. References _DCcomputational. Referenced by QCMDSystem< TPSolver >::checkData(), QCManager< TPModel, TPSystem >::init(), QCManager< TPModel, TPSystem >::isDCComputation(), main(), and operator<<(). |
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Definition at line 228 of file QCGeneralData.hpp. References readPartitionFile. |
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Definition at line 227 of file QCGeneralData.hpp. References readPartitionFile. Referenced by QCMDSystem< TPSolver >::checkData(), QCPartitioner< TPSystem >::init(), QCPartitioner< TPSystem >::initData(), and operator<<(). |
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Definition at line 104 of file QCGeneralData.cpp. References buffDiameter, QCCommon::computations, computationType, cutRadius, deltaQ, derivationType, QCCommon::derivationTypes, derivShiftBhvr, QCCommon::derivShiftBhvrs, diagoAlgorithm, QCCommon::diagoAlgorithms, energyNbMaxIter, energyThreshold, QCCommon::initDensityMatrix, initDensityMatrix, QCCommon::intgAcqMethods, intgAcquisitionMethod, mainAlgorithm, QCCommon::mainAlgorithms, modelType, QCCommon::modelTypes, nbPartitions, parameterType, QCCommon::paramTypes, partitionerType, QCCommon::partitionerTypes, partitionType, QCCommon::partitionTypes, readPartitionFile, shiftingLevelParameter, updateEnum(), updateVal(), and QCCommon::YesStr. Referenced by QCReader::readGeneralFile(). Here is the call graph for this function: ![]() |
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Definition at line 98 of file QCGeneralData.hpp. References QCCommon::computations, computationType, and updateEnum(). Referenced by main(). Here is the call graph for this function: ![]() |
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Definition at line 58 of file QCGeneralData.hpp. References _DCcomputational, mainAlgorithm, QC_DC_OPTIMAL_DAMPING, and QC_DC_SCF. Referenced by QCReader::readGeneralFile(). |
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Definition at line 206 of file QCGeneralData.cpp. References nbPartitions, and toString(). Referenced by QCReader::readNewPartitionFile(), and QCReader::readOldPartitionFile(). Here is the call graph for this function: ![]() |
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Definition at line 259 of file QCGeneralData.hpp. References partitionType, QCCommon::partitionTypes, and updateEnum(). Referenced by QCReader::readNewPartitionFile(), and QCReader::readOldPartitionFile(). Here is the call graph for this function: ![]() |
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Definition at line 202 of file QCGeneralData.cpp. References buffDiameter, cutRadius, and toString(). Referenced by QCReader::readNewPartitionFile(), and QCReader::readOldPartitionFile(). Here is the call graph for this function: ![]() |
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Definition at line 232 of file QCGeneralData.hpp. References readPartitionFile. |
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Definition at line 230 of file QCGeneralData.hpp. References readPartitionFile. Referenced by main(). |
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Definition at line 42 of file QCGeneralData.hpp. |
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Definition at line 420 of file QCGeneralData.hpp. Referenced by isDCComputation(), and setIsDCComputation(). |
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Definition at line 402 of file QCGeneralData.hpp. Referenced by getBuffDiameter(), QCGeneralData(), reportStrValues(), and setRadius(). |
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Definition at line 322 of file QCGeneralData.hpp. Referenced by getComputationType(), getComputationTypeStr(), QCGeneralData(), reportStrValues(), and setComputationType(). |
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Definition at line 406 of file QCGeneralData.hpp. Referenced by getCutRadius(), QCGeneralData(), reportStrValues(), and setRadius(). |
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Definition at line 389 of file QCGeneralData.hpp. Referenced by getDeltaQ(), QCGeneralData(), and reportStrValues(). |
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Definition at line 376 of file QCGeneralData.hpp. Referenced by getDerivationType(), getDerivationTypeStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 380 of file QCGeneralData.hpp. Referenced by getDerivShiftBhvr(), getDerivShiftBhvrStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 330 of file QCGeneralData.hpp. Referenced by getDiagoAlgorithm(), getDiagoAlgorithmStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 356 of file QCGeneralData.hpp. Referenced by getEnergyNbMaxIter(), QCGeneralData(), and reportStrValues(). |
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Definition at line 352 of file QCGeneralData.hpp. Referenced by getEnergyThreshold(), QCGeneralData(), and reportStrValues(). |
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Definition at line 342 of file QCGeneralData.hpp. Referenced by getInitDensityMatrix(), getInitDensityMatrixStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 338 of file QCGeneralData.hpp. Referenced by getIntgAcquisitionMethod(), getIntgAcquisitionMethodStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 326 of file QCGeneralData.hpp. Referenced by getMainAlgorithm(), getMainAlgorithmStr(), QCGeneralData(), reportStrValues(), and setIsDCComputation(). |
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Definition at line 314 of file QCGeneralData.hpp. Referenced by getModelType(), getModelTypeStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 398 of file QCGeneralData.hpp. Referenced by getNbPartitions(), QCGeneralData(), reportStrValues(), and setNumberOfPartitions(). |
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Definition at line 318 of file QCGeneralData.hpp. Referenced by getParameterType(), getParameterTypeStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 418 of file QCGeneralData.hpp. Referenced by getPartitionerType(), getPartitionerTypeStr(), QCGeneralData(), and reportStrValues(). |
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Definition at line 414 of file QCGeneralData.hpp. Referenced by getPartitionType(), getPartitionTypeStr(), QCGeneralData(), reportStrValues(), and setPartitionType(). |
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Definition at line 410 of file QCGeneralData.hpp. Referenced by isReadPartitionFromFile(), QCGeneralData(), reportStrValues(), setReadPartitionFileOFF(), and setReadPartitionFileON(). |
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Definition at line 425 of file QCGeneralData.hpp. Referenced by getMap(), and QCGeneralData(). |
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Definition at line 334 of file QCGeneralData.hpp. Referenced by getShiftingLevelParameter(), QCGeneralData(), and reportStrValues(). |