Here is a list of all documented functions with links to the class documentation for each member:
- d -
- da4() : sc::ExternSpinFreeRDMTwo, sc::PsiSpinFreeRDMTwo, sc::SpinFreeRDM< R >
- dat() : sc::SCMatrixBlock, sc::SCMatrixDiagBlock, sc::SCMatrixLTriBlock, sc::SCMatrixRectBlock, sc::SCVectorSimpleBlock
- data() : sc::MemoryIter
- data_persistent() : sc::CreateTransformHints, sc::DistArray4, sc::DistArray4_MemoryGrp, sc::DistArray4_MPIIOFile, sc::DistArray4_Node0File
- Dataset() : mpqc::File::Dataset< T >
- dataset() : mpqc::File::Group
- daxpy() : sc::Tensor
- ddot() : sc::Tensor
- deactivate() : sc::ActiveMessageGrp, sc::ARMCIMemoryGrp, sc::DistArray4, sc::DistArray4_MemoryGrp, sc::DistArray4_MPIIOFile, sc::DistArray4_Node0File, sc::FileGrp, sc::MemoryGrp, sc::MemoryGrpRegion, sc::MTMPIMemoryGrp
- deallocate() : sc::ConsumableResources
- deallocate_blocks() : sc::sma2::Array< N >
- debug() : mpqc::TA::Wavefunction, sc::Debugger, sc::PsiWavefunction, sc::sma2::Array< N >
- debug_level() : sc::WavefunctionWorld
- Debugger() : sc::Debugger
- decrease_factor() : sc::Backtrack
- deepcopy() : sc::SCMatrixBlock, sc::SCMatrixDiagBlock, sc::SCMatrixLTriBlock, sc::SCMatrixRectBlock, sc::SCVectorSimpleBlock
- default_cabs_name() : sc::R12Technology
- default_cmd() : sc::Debugger
- default_debugger() : sc::Debugger
- default_dfbs_name() : sc::DensityFittingRuntime
- default_lindep_tol() : sc::OverlapOrthog
- default_matrixkit() : sc::SCMatrixKit
- default_orthog_method() : sc::OverlapOrthog
- default_stg_exponent() : sc::R12Technology
- definite_kernel() : sc::DensityFitting
- degen() : sc::CorrelationTable
- degeneracy() : sc::IrreducibleRepresentation
- degrees() : sc::BendSimpleCo, sc::LinIPSimpleCo, sc::LinOPSimpleCo, sc::OutSimpleCo, sc::ScaledTorsSimpleCo, sc::TorsSimpleCo
- delta_function() : sc::Integral
- delta_function_4() : sc::IntegralLibint2
- DenIntegrator() : sc::DenIntegrator
- density() : sc::CCR12, sc::CI, sc::CLKS, sc::CLSCF, sc::ExtendedHuckelWfn, sc::ExternPT2R12, sc::HCoreWfn, sc::HSOSSCF, sc::LMP2, sc::MBPT2, sc::MBPT2_R12, sc::OSSSCF, sc::PsiCorrWavefunction, sc::PsiSCF, sc::PsiWavefunction, sc::PT2R12, sc::RDMCumulant< R >, sc::SpinOrbitalPT2R12, sc::SuperpositionOfAtomicDensities, sc::TCSCF, sc::UnrestrictedSCF, sc::Wavefunction
- DensityFitting() : sc::DensityFitting
- DensityFittingParams() : sc::DensityFittingParams
- dereference() : sc::RefCount
- DerivCenters() : sc::DerivCenters
- descr() : sc::NBodyIntEval, sc::OneBodyOper, sc::TwoBodyInt, sc::TwoBodyIntBatch< NumCenters >, sc::TwoBodyIntBatchGeneric< NumCenters >, sc::TwoBodyIntEval, sc::TwoBodyIntLibint2, sc::TwoBodyIntV3, sc::TwoBodyOper, sc::TwoBodyThreeCenterInt, sc::TwoBodyThreeCenterIntLibint2, sc::TwoBodyThreeCenterIntV3, sc::TwoBodyTwoCenterInt, sc::TwoBodyTwoCenterIntLibint2, sc::TwoBodyTwoCenterIntV3
- descr_key() : sc::TwoBodyMOIntsRuntime< NumCenters >
- describedclass() : sc::KeyVal
- describedclassvalue() : sc::KeyVal
- description() : sc::Exception
- desired_accuracy() : sc::MolecularGradient, sc::MolecularHessian
- desired_accuracy_set_to_default() : sc::MolecularHessian
- desired_value_accuracy() : sc::Extern_RefWavefunction, sc::Function, sc::PsiRASCI_RefWavefunction, sc::PsiSCF_RefWavefunction, sc::RefWavefunction, sc::SD_RefWavefunction
- desired_value_accuracy_set_to_default() : sc::PsiRASCI_RefWavefunction, sc::PsiSCF_RefWavefunction, sc::RefWavefunction, sc::SD_RefWavefunction
- determ() : sc::RefDiagSCMatrix, sc::RefSCMatrix, sc::RefSymmSCMatrix
- determ_this() : sc::BlockedDiagSCMatrix, sc::BlockedSCMatrix, sc::BlockedSymmSCMatrix, sc::DiagSCMatrix, sc::DistDiagSCMatrix, sc::DistSCMatrix, sc::DistSymmSCMatrix, sc::LocalDiagSCMatrix, sc::LocalSCMatrix, sc::LocalSymmSCMatrix, sc::ReplDiagSCMatrix, sc::ReplSCMatrix, sc::ReplSymmSCMatrix, sc::SCMatrix, sc::SymmSCMatrix
- determine_filesizes() : sc::Tensor
- dets() : mpqc::ci::SubspaceGrid
- df_info() : sc::MOIntsTransformFactory
- dfbasis12() : sc::TwoBodyMOIntsTransform_ixjy_df
- dfbasis34() : sc::TwoBodyMOIntsTransform_ixjy_df
- DFCLHF() : sc::DFCLHF
- dfinfo() : sc::DFCLHF, sc::PsiRASCI_RefWavefunction, sc::PsiSCF_RefWavefunction, sc::RefWavefunction, sc::SCF, sc::SD_RefWavefunction
- dfparams() : sc::DensityFittingRuntime, sc::MOIntsRuntime
- DFPUpdate() : sc::DFPUpdate
- DiagMolecularHessian() : sc::DiagMolecularHessian
- diagonalize() : sc::BlockedSymmSCMatrix, sc::DistSymmSCMatrix, sc::LocalSymmSCMatrix, sc::MP2R12EnergyUtil_base, sc::MP2R12EnergyUtil_Diag, sc::MP2R12EnergyUtil_Diag_DifferentSpin, sc::MP2R12EnergyUtil_Diag_SameSpin, sc::MP2R12EnergyUtil_Nondiag, sc::RefSymmSCMatrix, sc::ReplSymmSCMatrix, sc::SymmSCMatrix
- diff() : mpqc::ci::CI< CIFunctor, Index >
- DIIS() : sc::DIIS
- dim() : sc::CartMolecularCoor, sc::DiagSCMatrix, sc::IntMolecularCoor, sc::MolecularCoor, sc::OrbitalSpace, sc::SCVector, sc::ShellRotation, sc::SymmSCMatrix
- dim_aa() : sc::R12IntEval
- dim_f12() : sc::R12IntEval
- dim_GG() : sc::R12IntEval
- dim_gg() : sc::R12IntEval
- dim_natom3() : sc::MolecularCoor
- dim_oo() : sc::R12IntEval
- dim_vv() : sc::R12IntEval
- dimension() : sc::Function
- dimension_map() : sc::WriteBasisGrid, sc::WriteOrbitals, sc::WriteVectorGrid
- dipole() : sc::Integral, sc::IntegralLibint2, sc::IntegralV3
- dir_getobject() : sc::StateIn
- disk_location() : sc::ConsumableResources
- distance() : mpqc::TA::KCluster
- distributed_from_distributed() : sc::sma2::Array< N >
- DistShell() : sc::DistShell
- DistShellPair() : sc::DistShellPair
- dk() : sc::Extern_RefWavefunction, sc::PsiRASCI_RefWavefunction, sc::PsiSCF_RefWavefunction, sc::RefWavefunction, sc::SD_RefWavefunction, sc::Wavefunction
- do_change_coordinates() : sc::Function
- do_value() : sc::Function
- docc_act() : sc::PsiCorrWavefunction
- done() : sc::AccumH, sc::BeckeIntegrationWeight, sc::BEMSolventH, sc::DenIntegrator, sc::IntegrationWeight, sc::SumAccumH
- dot_product() : sc::MP2R12EnergyUtil_base, sc::MP2R12EnergyUtil_Diag, sc::MP2R12EnergyUtil_Diag_DifferentSpin, sc::MP2R12EnergyUtil_Diag_SameSpin, sc::MP2R12EnergyUtil_Nondiag
- doublevalue() : sc::KeyVal, sc::KeyValValuestring
- dpd_start() : sc::PsiCC
- dpd_stop() : sc::PsiCC
- driver() : sc::sma2::RepackScheme< NC, NA, NB >
- dump() : sc::AggregateKeyVal, sc::KeyVal, sc::ParsedKeyVal, sc::PrefixKeyVal, sc::StringKeyVal
- dynamic() : sc::TwoBodyMOIntsTransform, sc::WavefunctionWorld