Data Types List

Here are the data types with brief descriptions:

[detail level 12]

MALCHEMY_module	ALCHEMY integral module
CALCHEMYIntegral
MARPACKDiagonalizer_module	Diagonalizer type using Arpack backend
CARPACKDiagonalizer
MBaseCorePotential_module	Base type for core potentials
CBaseCorePotential
Cgeneric_ecp	Main build routine of the hamiltonian
Cgeneric_energy
Cgeneric_input	Main build routine of the hamiltonian
MBaseIntegral_module	Base integral module
CBaseIntegral
Cgeneric_destroy
Cgeneric_finalize
Cgeneric_geometries
Cgeneric_get
Cgeneric_initialize
Cgeneric_load
MBaseManager_module	Base manager type
CBaseManager	This is a simple class to handle memory management tracking
MBaseMatrix_module	Base matrix module
CBaseMatrix	Base matrix type
Cgeneric_clear
Cgeneric_construct
Cgeneric_destroy
Cgeneric_get
Cgeneric_insert
MBaseMPI_module	Base MPI module
CBaseMPI	Base MPI type
MCI_Hamiltonian_module	Target CI Hamiltonian module
CTarget_CI_Hamiltonian	Hamiltonian type
MContracted_Hamiltonian_module	Contracted Hamiltonian module
CContracted_Hamiltonian	Computation of Hamiltonian
MContracted_Symbolic_module	Symbolic module
CContractedSymbolicElementVector	This class handles the storage symbolic elements
MCSF_module	CSF module
CCSFManager	Configuration state function factory
CCSFObject	Single configuration state function
CCSFOrbital	Single determinant
MDavidsonDiagonalizer_module	Diagonalizer type using Davidson backend
CDavidsonDiagonalizer
MDiagonalizer_module	Base type for all diagonalizers
CBaseDiagonalizer
Cgeneric_diagonalize
MDiagonalizerResult_module	Diagonalizer result data object
CDiagonalizerResult	Output from diagonalization
Cexport_eigenvalues	Build routine of the hamiltonian
Chandle_eigenvalues	Main build routine of the hamiltonian
Chandle_eigenvector	Main build routine of the hamiltonian
MDistributedMatrix_module	Distributed matrix module
CDistributedMatrix	Distributed matrix type
MELPADiagonalizer_module	Diagonalizer type using ELPA backend
CELPADiagonalizer	Diagonalizer class
MELPAMatrix_module	ELPA matrix module
CELPAMatrix	ELPA distributed matrix
MHamiltonian_module	Base Hamiltonian module
CBaseHamiltonian	This is an abstract class that contains the majority of functionality required to construct hamiltonians
Cgeneric_build	Main build routine of the hamiltonian
MLapackDiagonalizer_module	Diagonalizer type using LAPACK backend
CLapackDiagonalizer
MMatrixCache_module	Matrix cache module
CMatrixArray
CMatrixCache	This handles the matrix elements and also expands the vector size if we have reached max capacity
MMatrixElement_module	Matrix element module
CMatrixElementVector	This handles the matrix elements and also expands the vector size if we have reached max capacity
MMemoryManager_module	Memory manager module
CMemoryManager	This is a simple class to handle memory management tracking
MMOLPROCorePotential_module	MOLPRO core potentials
CMOLPROCorePotential
MOptions_module	Options module
CInterfaceOptions	MPI-SCATCI outer interface
COptions	Calculation setup for a single Hamiltonian diagonalization
COptionsSet	MPI-SCATCI input
CPhase	?
MOrbital_module	Target CI Hamiltonian module
COrbitalTable	This class generates the molecular and spin orbitals, stores them and generates symblic elements from determinants
CSpinOrbital	This type holds a single spin orbital
MParallelization_module	Distribution of processes into a grid
CProcessGrid	MPI process grid layout
MPostprocessing_module	Further processing of the diagonalization results
COuterInterface	SWINTERF-inspired post-processing object
MSCALAPACKDiagonalizer_module	Diagonalizer type using ScaLAPACK backend
CSCALAPACKDiagonalizer
MSCALAPACKMatrix_module	ScaLAPACK matrix module
CSCALAPACKMatrix
MSLEPCDavidsonDiagonalizer_module	Diagonalizer type using SLEPc (Davidson) backend
CSLEPCDavidsonDiagonalizer
MSLEPCDiagonalizer_module	Diagonalizer type using SLEPc backend
CSLEPCDiagonalizer
MSLEPCMatrix_module	SLEPc matrix module
CCSRFormat
CSLEPCMatrix
MSolutionHandler_module	Solution handler module
CSolutionHandler	Solution writer
MSWEDEN_module	SWEDEN integral module
CSWEDENIntegral
MSymbolic_module	Symbolic module
CSymbolicElementVector	This class handles the storage symbolic elements
MTarget_RMat_CI_module	Target Rmat CI module
CTarget_RMat_CI	This class handles the storage of target CI coefficients
MTiming_Module	Timing module
Ctime_data
CTimer
MUKRMOL_module	UKRmol+ integral module
CUKRMOLIntegral
MUncontracted_Hamiltonian_module	Uncontracted Hamiltonian module
CUncontracted_Hamiltonian
MWriterMatrix_module	Write matrix module
CWriterMatrix	Matrix associated with a disk drive