Here is a list of all documented functions with links to the class documentation for each member:
- g -
- gamma() : sc::CharacterTable, sc::CorrelationTable
- GaussianBasisSet() : sc::GaussianBasisSet
- GaussianShell() : sc::GaussianShell
- GaussLegendreAngularIntegrator() : sc::GaussLegendreAngularIntegrator
- gbc() : sc::MP2R12Energy
- gen_invert_this() : sc::BlockedDiagSCMatrix, sc::DiagSCMatrix, sc::DistDiagSCMatrix, sc::LocalDiagSCMatrix, sc::ReplDiagSCMatrix
- gen_project() : sc::R12IntEvalInfo
- generate() : sc::IntCoorGen
- get() : sc::auto_vec< T >, sc::MsgStateRecv, sc::SCMatrixBlockIter, sc::SCMatrixDiagBlockIter, sc::SCMatrixDiagSubBlockIter, sc::SCMatrixLTriBlockIter, sc::SCMatrixLTriSubBlockIter, sc::SCMatrixRectBlockIter, sc::SCMatrixRectSubBlockIter, sc::SCVectorSimpleBlockIter, sc::SCVectorSimpleSubBlockIter, sc::StateIn, sc::StateInText, sc::TranslateDataIn
- get_angular_momentum() : MPQC::GaussianBasis_Shell_impl
- get_angular_type() : MPQC::GaussianBasis_Atomic_impl, MPQC::GaussianBasis_Molecular_impl, MPQC::GaussianBasis_Shell_impl
- get_array_char() : sc::StateIn, sc::StateInText
- get_atomic() : MPQC::GaussianBasis_Molecular_impl
- get_atomic_label() : MPQC::Chemistry_Molecule_impl
- get_atomic_number() : MPQC::Chemistry_Molecule_impl
- get_buffer() : MPQC::IntegralEvaluator2_impl, MPQC::IntegralEvaluator3_impl, MPQC::IntegralEvaluator4_impl
- get_builder_service() : sc::CCAEnv
- get_cart_coor() : MPQC::Chemistry_Molecule_impl
- get_cartesian_gradient() : sc::MolecularEnergy
- get_cartesian_hessian() : sc::MolecularEnergy
- get_cartesian_x() : sc::MolecularEnergy
- get_component_id() : sc::CCAEnv
- get_contraction_angular_type() : MPQC::GaussianBasis_Shell_impl
- get_contraction_coef() : MPQC::GaussianBasis_Shell_impl
- get_contraction_transform() : MPQC::IntegralEvaluatorFactory_impl
- get_coor() : MPQC::Chemistry_Molecule_impl, MPQC::ChemistryOpt_CoordinateModel_impl
- get_cwd() : sc::PsiExEnv
- get_default_filegrp() : sc::FileGrp
- get_default_integral() : sc::Integral
- get_default_memorygrp() : sc::MemoryGrp
- get_default_messagegrp() : sc::MessageGrp
- get_element() : sc::BlockedDiagSCMatrix, sc::BlockedSCMatrix, sc::BlockedSCVector, sc::BlockedSymmSCMatrix, sc::DiagSCMatrix, sc::DistDiagSCMatrix, sc::DistSCMatrix, sc::DistSCVector, sc::DistSymmSCMatrix, sc::LocalDiagSCMatrix, sc::LocalSCMatrix, sc::LocalSCVector, sc::LocalSymmSCMatrix, sc::ReplDiagSCMatrix, sc::ReplSCMatrix, sc::ReplSCVector, sc::ReplSymmSCMatrix, sc::SCMatrix, sc::SCVector, sc::SymmSCMatrix
- get_energy() : MPQC::Chemistry_QC_Model_impl, MPQC::ChemistryOpt_CoordinateModel_impl
- get_energy_accuracy() : MPQC::Chemistry_QC_Model_impl
- get_energy_and_gradient() : MPQC::ChemistryOpt_CoordinateModel_impl
- get_exponent() : MPQC::GaussianBasis_Shell_impl
- get_filename() : sc::FileGrp
- get_fileprefix() : sc::PsiExEnv
- get_framework() : sc::CCAEnv
- get_grad() : sc::Convergence, sc::MolEnergyConvergence
- get_gradient() : MPQC::Chemistry_QC_Model_impl, MPQC::ChemistryOpt_CoordinateModel_impl
- get_gradient_accuracy() : MPQC::Chemistry_QC_Model_impl
- get_guess_hessian() : MPQC::Chemistry_QC_Model_impl
- get_guess_hessian_accuracy() : MPQC::Chemistry_QC_Model_impl
- get_hcore_evaluator() : MPQC::IntegralEvaluatorFactory_impl
- get_header() : sc::StateIn
- get_hessian() : MPQC::Chemistry_QC_Model_impl, MPQC::ChemistryOpt_CoordinateModel_impl
- get_hessian_accuracy() : MPQC::Chemistry_QC_Model_impl
- get_integral_evaluator2() : MPQC::IntegralEvaluatorFactory_impl
- get_integral_evaluator3() : MPQC::IntegralEvaluatorFactory_impl
- get_integral_evaluator4() : MPQC::IntegralEvaluatorFactory_impl
- get_label() : MPQC::GaussianBasis_Molecular_impl
- get_max_angular_momentum() : MPQC::GaussianBasis_Atomic_impl, MPQC::GaussianBasis_Molecular_impl, MPQC::GaussianBasis_Shell_impl
- get_model() : MPQC::Chemistry_QC_ModelFactory_impl, MPQC::ChemistryOpt_CoordinateModel_impl
- get_molecular() : MPQC::IntegralEvaluatorFactory_impl
- get_molecule() : MPQC::Chemistry_QC_Model_impl, MPQC::GaussianBasis_Molecular_impl, MPQC::IntegralEvaluatorFactory_impl
- get_n_atom() : MPQC::Chemistry_Molecule_impl
- get_n_basis() : MPQC::GaussianBasis_Atomic_impl, MPQC::GaussianBasis_Molecular_impl
- get_n_contraction() : MPQC::GaussianBasis_Shell_impl
- get_n_coor() : MPQC::ChemistryOpt_CoordinateModel_impl
- get_n_primitive() : MPQC::GaussianBasis_Shell_impl
- get_n_shell() : MPQC::GaussianBasis_Atomic_impl, MPQC::GaussianBasis_Molecular_impl
- get_name() : MPQC::GaussianBasis_Atomic_impl
- get_net_charge() : MPQC::Chemistry_Molecule_impl
- get_nscratch() : sc::PsiExEnv
- get_nuclear_evaluator() : MPQC::IntegralEvaluatorFactory_impl
- get_psi_exenv() : sc::PsiWavefunction
- get_psi_file11() : sc::PsiExEnv
- get_psi_input() : sc::PsiExEnv, sc::PsiWavefunction
- get_row() : sc::BlockedSCMatrix, sc::BlockedSymmSCMatrix, sc::DistSCMatrix, sc::DistSymmSCMatrix, sc::LocalSCMatrix, sc::LocalSymmSCMatrix, sc::ReplSCMatrix, sc::ReplSymmSCMatrix, sc::SCMatrix, sc::SymmSCMatrix
- get_scratch() : sc::PsiExEnv
- get_services() : sc::CCAEnv
- get_shell() : MPQC::GaussianBasis_Atomic_impl
- get_subblock() : sc::BlockedSCMatrix, sc::BlockedSymmSCMatrix, sc::DistSCMatrix, sc::DistSymmSCMatrix, sc::LocalSCMatrix, sc::LocalSymmSCMatrix, sc::ReplSCMatrix, sc::ReplSymmSCMatrix, sc::SCMatrix, sc::SymmSCMatrix
- get_symmetry() : MPQC::Chemistry_Molecule_impl
- get_task() : sc::DistShellPair
- get_type_map() : sc::CCAEnv
- get_unit_name() : MPQC::Physics_Units_impl
- get_units() : MPQC::Chemistry_Molecule_impl
- get_x_reference() : sc::Function
- getAvailableComponentClasses() : MPQC::ComponentFactory_impl
- getComponentClassName() : MPQC::ComponentClassDescription_impl
- getobject() : sc::StateIn, sc::StateInText
- getstring() : sc::StateIn, sc::StateInText
- gi() : sc::RefDiagSCMatrix, sc::RefSCMatrix, sc::RefSymmSCMatrix
- go() : MPQC::SimpleDriver_impl
- got_signal() : sc::Debugger
- grad_shell_values() : sc::GaussianBasisSet
- grad_values() : sc::GaussianBasisSet, sc::GaussianShell
- group() : sc::CorrelationTable
- grt() : sc::Integral, sc::IntegralCints
- guess_hessian() : sc::Function, sc::MolecularEnergy, sc::RedundMolecularCoor, sc::SetIntCoor, sc::SymmMolecularCoor
- guess_hessian_solve() : MPQC::ChemistryOpt_CoordinateModel_impl
- GuessMolecularHessian() : sc::GuessMolecularHessian