QC++ Class List

Here are the classes, structs, unions and interfaces with brief descriptions:
AAPartition
atomElement
AtomIn
BoxPartition
DCatomElement
FragmentDataBaseElement
FragmentElement
FragmentsDataBase
PartitionBase< TYPEOFATOMS >
PDBelement
PDBstructure
QCAm1Class of the semi-empirical quantum model AM1
QCAm1Param
QCAm1T< TPParam >
QCAtomIn
QCAtomsClass containing informations about the atoms
QCChronoClass of chronometers
QCCommon
QCDCAlgoThe class of the Divide And Conquer algorithm
QCDensityGtr< TPMatrix >Class to construct, to work, .. the density matrix
QCEnergies
QCErrorManager
QCFiles
QCFloatFloat
QCFockGtr< TPMatrix >
QCGeneralDataContains all the parameters of the QCPP codes
QCGlobalSystem< TPSolver >
QCHamiltonGtr< TPMatrix >
QCIntgReader
QCIntgWriter
QCGlobalSystem< TPSolver >::QCIterator
QCMDSystem< TPSolver >::QCIterator
QCKimikaPartitioner< TPSystem >
QCLinearPartitioner< TPSystem >
QCManager< TPModel, TPSystem >The manager of the application
QCMatElemGtr< TPMatrix >
QCMatrix
QCMDSystem< TPSolver >This class contains a set molecular System obtained by the partitionning of the whole molecule
QCMemory
QCMndoClass of the semi-empirical quantum model MNDO
QCMndoParam
QCMndoT< TPParam >
QCModel
QCModelMatrices
QCOrdering
QCOverlapGtr< TPMatrix >
QCParameter
QCPartitioner< TPSystem >The basic class of the partitionner classes
QCPartSubDomain
QCPm3Class of the semi-empirical quantum model .PM3
QCPm3ParamThe parameters of the class QCPm3
QCPm3T< TPParam >
QCPoint< dim >
QCReader
QCRepInterElec
QCSCFAlgoSCF Algorithms for the classical Roothaan-Hall equations. QCSCFAlgo contains SCF algorithms to solve the Roothaan-Haal equations. The algorithms are
  • Fixed Point (Classical method)
  • Level-Shifting algorithm
  • Optimal Damping algorithm
QCSCFBaseAlgoBase class for SCF algorithm to solve the Roothan equations
QCMemory::QCStackCell
QCSubDomainA sub system of the molecule in the Divide and Conquer method
QCSymMatrix
QCSystemContains all the parameters of the QCPP codes
QCTable
QCTopEnergyLevel
QCTrace
ResiduDataBaseElement
setOfAtoms
setOfFragments
subDomain

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