_static/html/gqcp_8hpp_source.html

// This file is part of GQCG-GQCP.

//

// Copyright (C) 2017-2020  the GQCG developers

//

// GQCG-GQCP is free software: you can redistribute it and/or modify

// it under the terms of the GNU Lesser General Public License as published by

// the Free Software Foundation, either version 3 of the License, or

// (at your option) any later version.

//

// GQCG-GQCP is distributed in the hope that it will be useful,

// but WITHOUT ANY WARRANTY; without even the implied warranty of

// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the

// GNU Lesser General Public License for more details.

//

// You should have received a copy of the GNU Lesser General Public License

// along with GQCG-GQCP.  If not, see <http://www.gnu.org/licenses/>.


#pragma once


#include "Basis/BiorthogonalBasis/GLowdinPairingBasis.hpp"

#include "Basis/BiorthogonalBasis/RLowdinPairingBasis.hpp"

#include "Basis/BiorthogonalBasis/SimpleLowdinPairingBasis.hpp"

#include "Basis/BiorthogonalBasis/ULowdinPairingBasis.hpp"

#include "Basis/BiorthogonalBasis/ULowdinPairingBasisComponent.hpp"

#include "Basis/Integrals/BaseOneElectronIntegralBuffer.hpp"

#include "Basis/Integrals/BaseOneElectronIntegralEngine.hpp"

#include "Basis/Integrals/BaseTwoElectronIntegralBuffer.hpp"

#include "Basis/Integrals/BaseTwoElectronIntegralEngine.hpp"

#include "Basis/Integrals/IntegralCalculator.hpp"

#include "Basis/Integrals/IntegralEngine.hpp"

#include "Basis/Integrals/Interfaces/LibcintInterfacer.hpp"

#include "Basis/Integrals/Interfaces/LibcintOneElectronIntegralBuffer.hpp"

#include "Basis/Integrals/Interfaces/LibcintOneElectronIntegralEngine.hpp"

#include "Basis/Integrals/Interfaces/LibcintTwoElectronIntegralBuffer.hpp"

#include "Basis/Integrals/Interfaces/LibcintTwoElectronIntegralEngine.hpp"

#include "Basis/Integrals/Interfaces/LibintInterfacer.hpp"

#include "Basis/Integrals/Interfaces/LibintOneElectronIntegralBuffer.hpp"

#include "Basis/Integrals/Interfaces/LibintOneElectronIntegralEngine.hpp"

#include "Basis/Integrals/Interfaces/LibintTwoElectronIntegralBuffer.hpp"

#include "Basis/Integrals/Interfaces/LibintTwoElectronIntegralEngine.hpp"

#include "Basis/Integrals/OneElectronIntegralBuffer.hpp"

#include "Basis/Integrals/OneElectronIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/BaseMatrixPrimitiveIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/BaseScalarPrimitiveIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/BaseVectorPrimitiveIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/DoubleLondonHermiteCoulombIntegral.hpp"

#include "Basis/Integrals/Primitive/FunctionalOneElectronPrimitiveIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/FunctionalTwoElectronPrimitiveIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/HermiteCoulombIntegral.hpp"

#include "Basis/Integrals/Primitive/LondonHermiteCoulombIntegral.hpp"

#include "Basis/Integrals/Primitive/McMurchieDavidsonCoefficient.hpp"

#include "Basis/Integrals/Primitive/PrimitiveAngularMomentumIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveCanonicalKineticEnergyIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveCoulombRepulsionIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveElectronicDipoleIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveElectronicQuadrupoleIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveLinearMomentumIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveNuclearAttractionIntegralEngine.hpp"

#include "Basis/Integrals/Primitive/PrimitiveOverlapIntegralEngine.hpp"

#include "Basis/Integrals/TwoElectronIntegralBuffer.hpp"

#include "Basis/Integrals/TwoElectronIntegralEngine.hpp"

#include "Basis/NonOrthogonalBasis/GNonOrthogonalStateBasis.hpp"

#include "Basis/NonOrthogonalBasis/RNonOrthogonalStateBasis.hpp"

#include "Basis/NonOrthogonalBasis/UNonOrthogonalStateBasis.hpp"

#include "Basis/ScalarBasis/GTOBasisSet.hpp"

#include "Basis/ScalarBasis/GTOShell.hpp"

#include "Basis/ScalarBasis/LondonGTOShell.hpp"

#include "Basis/ScalarBasis/ScalarBasis.hpp"

#include "Basis/ScalarBasis/ShellSet.hpp"

#include "Basis/SpinorBasis/CurrentDensityMatrixElement.hpp"

#include "Basis/SpinorBasis/GSpinorBasis.hpp"

#include "Basis/SpinorBasis/OccupationType.hpp"

#include "Basis/SpinorBasis/OrbitalSpace.hpp"

#include "Basis/SpinorBasis/RSpinOrbitalBasis.hpp"

#include "Basis/SpinorBasis/SimpleSpinOrbitalBasis.hpp"

#include "Basis/SpinorBasis/SimpleSpinorBasis.hpp"

#include "Basis/SpinorBasis/SpinResolvedOrbitalSpace.hpp"

#include "Basis/SpinorBasis/Spinor.hpp"

#include "Basis/SpinorBasis/USpinOrbitalBasis.hpp"

#include "Basis/SpinorBasis/USpinOrbitalBasisComponent.hpp"

#include "Basis/Transformations/BasisTransformable.hpp"

#include "Basis/Transformations/GOrbitalRotationGenerators.hpp"

#include "Basis/Transformations/GTransformation.hpp"

#include "Basis/Transformations/JacobiRotatable.hpp"

#include "Basis/Transformations/JacobiRotation.hpp"

#include "Basis/Transformations/OrbitalRotationGeneratorTraits.hpp"

#include "Basis/Transformations/ROrbitalRotationGenerators.hpp"

#include "Basis/Transformations/RTransformation.hpp"

#include "Basis/Transformations/SimpleOrbitalRotationGenerators.hpp"

#include "Basis/Transformations/SimpleTransformation.hpp"

#include "Basis/Transformations/SpinResolvedBasisTransformable.hpp"

#include "Basis/Transformations/SpinResolvedJacobiRotatable.hpp"

#include "Basis/Transformations/UJacobiRotation.hpp"

#include "Basis/Transformations/UOrbitalRotationGenerators.hpp"

#include "Basis/Transformations/UOrbitalRotationGeneratorsComponent.hpp"

#include "Basis/Transformations/UTransformation.hpp"

#include "Basis/Transformations/UTransformationComponent.hpp"

#include "Basis/Transformations/transform.hpp"

#include "DensityMatrix/DensityMatrixTraits.hpp"

#include "DensityMatrix/G1DM.hpp"

#include "DensityMatrix/G2DM.hpp"

#include "DensityMatrix/MixedSpinResolved2DMComponent.hpp"

#include "DensityMatrix/Orbital1DM.hpp"

#include "DensityMatrix/Orbital2DM.hpp"

#include "DensityMatrix/PureSpinResolved2DMComponent.hpp"

#include "DensityMatrix/Simple1DM.hpp"

#include "DensityMatrix/Simple2DM.hpp"

#include "DensityMatrix/SpinDensity1DM.hpp"

#include "DensityMatrix/SpinResolved1DM.hpp"

#include "DensityMatrix/SpinResolved1DMComponent.hpp"

#include "DensityMatrix/SpinResolved2DM.hpp"

#include "Domain/DiscreteDomain.hpp"

#include "Domain/HubbardDomain.hpp"

#include "Domain/MullikenDomain/GMullikenDomain.hpp"

#include "Domain/MullikenDomain/RMullikenDomain.hpp"

#include "Domain/MullikenDomain/UMullikenDomain.hpp"

#include "Domain/MullikenDomain/UMullikenDomainComponent.hpp"

#include "Domain/SimpleDomain.hpp"

#include "Mathematical/Algorithm/Algorithm.hpp"

#include "Mathematical/Algorithm/CompoundConvergenceCriterion.hpp"

#include "Mathematical/Algorithm/ConvergenceCriterion.hpp"

#include "Mathematical/Algorithm/FunctionalStep.hpp"

#include "Mathematical/Algorithm/IterativeAlgorithm.hpp"

#include "Mathematical/Algorithm/Step.hpp"

#include "Mathematical/Algorithm/StepCollection.hpp"

#include "Mathematical/Functions/BoysFunction.hpp"

#include "Mathematical/Functions/CartesianDirection.hpp"

#include "Mathematical/Functions/CartesianExponents.hpp"

#include "Mathematical/Functions/CartesianGTO.hpp"

#include "Mathematical/Functions/DyadicCartesianDirection.hpp"

#include "Mathematical/Functions/EvaluableLinearCombination.hpp"

#include "Mathematical/Functions/Function.hpp"

#include "Mathematical/Functions/VectorSpaceArithmetic.hpp"

#include "Mathematical/Grid/CubicGrid.hpp"

#include "Mathematical/Grid/Field.hpp"

#include "Mathematical/Grid/WeightedGrid.hpp"

#include "Mathematical/Optimization/Accelerator/ConstantDamper.hpp"

#include "Mathematical/Optimization/Accelerator/DIIS.hpp"

#include "Mathematical/Optimization/ConsecutiveIteratesNormConvergence.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/CorrectionVectorCalculation.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/DavidsonSolver.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/GuessVectorUpdate.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/MatrixVectorProductCalculation.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/ResidualVectorCalculation.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/ResidualVectorConvergence.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/SubspaceMatrixCalculation.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/SubspaceMatrixDiagonalization.hpp"

#include "Mathematical/Optimization/Eigenproblem/Davidson/SubspaceUpdate.hpp"

#include "Mathematical/Optimization/Eigenproblem/DenseDiagonalization.hpp"

#include "Mathematical/Optimization/Eigenproblem/Eigenpair.hpp"

#include "Mathematical/Optimization/Eigenproblem/EigenproblemEnvironment.hpp"

#include "Mathematical/Optimization/Eigenproblem/EigenproblemSolver.hpp"

#include "Mathematical/Optimization/Eigenproblem/GeneralizedDenseDiagonalization.hpp"

#include "Mathematical/Optimization/Eigenproblem/GeneralizedEigenproblemEnvironment.hpp"

#include "Mathematical/Optimization/Eigenproblem/GeneralizedEigenproblemSolver.hpp"

#include "Mathematical/Optimization/LinearEquation/ColPivHouseholderQRSolution.hpp"

#include "Mathematical/Optimization/LinearEquation/HouseholderQRSolution.hpp"

#include "Mathematical/Optimization/LinearEquation/LinearEquationEnvironment.hpp"

#include "Mathematical/Optimization/LinearEquation/LinearEquationSolver.hpp"

#include "Mathematical/Optimization/Minimization/BaseHessianModifier.hpp"

#include "Mathematical/Optimization/Minimization/IterativeIdentitiesHessianModifier.hpp"

#include "Mathematical/Optimization/Minimization/MinimizationEnvironment.hpp"

#include "Mathematical/Optimization/Minimization/Minimizer.hpp"

#include "Mathematical/Optimization/Minimization/NewtonStepUpdate.hpp"

#include "Mathematical/Optimization/Minimization/UnalteringHessianModifier.hpp"

#include "Mathematical/Optimization/NonLinearEquation/NewtonStepUpdate.hpp"

#include "Mathematical/Optimization/NonLinearEquation/NonLinearEquationEnvironment.hpp"

#include "Mathematical/Optimization/NonLinearEquation/NonLinearEquationSolver.hpp"

#include "Mathematical/Optimization/NonLinearEquation/step.hpp"

#include "Mathematical/Optimization/OptimizationEnvironment.hpp"

#include "Mathematical/Representation/Array.hpp"

#include "Mathematical/Representation/DenseVectorizer.hpp"

#include "Mathematical/Representation/ImplicitMatrixSlice.hpp"

#include "Mathematical/Representation/ImplicitRankFourTensorSlice.hpp"

#include "Mathematical/Representation/LeviCivitaTensor.hpp"

#include "Mathematical/Representation/Matrix.hpp"

#include "Mathematical/Representation/MatrixRepresentationEvaluationContainer.hpp"

#include "Mathematical/Representation/SquareMatrix.hpp"

#include "Mathematical/Representation/SquareRankFourTensor.hpp"

#include "Mathematical/Representation/StorageArray.hpp"

#include "Mathematical/Representation/Tensor.hpp"

#include "Molecule/Molecule.hpp"

#include "Molecule/NuclearFramework.hpp"

#include "Molecule/Nucleus.hpp"

#include "Molecule/elements.hpp"

#include "ONVBasis/ONVPath.hpp"

#include "ONVBasis/SeniorityZeroONVBasis.hpp"

#include "ONVBasis/SpinResolvedONV.hpp"

#include "ONVBasis/SpinResolvedONVBasis.hpp"

#include "ONVBasis/SpinResolvedOperatorString.hpp"

#include "ONVBasis/SpinResolvedSelectedONVBasis.hpp"

#include "ONVBasis/SpinUnresolvedONV.hpp"

#include "ONVBasis/SpinUnresolvedONVBasis.hpp"

#include "ONVBasis/SpinUnresolvedOperatorString.hpp"

#include "ONVBasis/SpinUnresolvedSelectedONVBasis.hpp"

#include "Operator/FirstQuantized/AngularMomentumOperator.hpp"

#include "Operator/FirstQuantized/BaseFQOperator.hpp"

#include "Operator/FirstQuantized/BaseNuclearOperator.hpp"

#include "Operator/FirstQuantized/BaseReferenceDependentOperator.hpp"

#include "Operator/FirstQuantized/CoulombRepulsionOperator.hpp"

#include "Operator/FirstQuantized/CurrentDensityOperator.hpp"

#include "Operator/FirstQuantized/DiamagneticOperator.hpp"

#include "Operator/FirstQuantized/ElectronicDipoleOperator.hpp"

#include "Operator/FirstQuantized/ElectronicQuadrupoleOperator.hpp"

#include "Operator/FirstQuantized/ElectronicSpinOperator.hpp"

#include "Operator/FirstQuantized/ElectronicSpin_zOperator.hpp"

#include "Operator/FirstQuantized/FQMolecularHamiltonian.hpp"

#include "Operator/FirstQuantized/FQMolecularPauliHamiltonian.hpp"

#include "Operator/FirstQuantized/KineticOperator.hpp"

#include "Operator/FirstQuantized/LinearMomentumOperator.hpp"

#include "Operator/FirstQuantized/NuclearAttractionOperator.hpp"

#include "Operator/FirstQuantized/NuclearDipoleOperator.hpp"

#include "Operator/FirstQuantized/NuclearRepulsionOperator.hpp"

#include "Operator/FirstQuantized/OrbitalZeemanOperator.hpp"

#include "Operator/FirstQuantized/OverlapOperator.hpp"

#include "Operator/FirstQuantized/SpinZeemanOperator.hpp"

#include "Operator/SecondQuantized/EvaluableRSQOneElectronOperator.hpp"

#include "Operator/SecondQuantized/GSQOneElectronOperator.hpp"

#include "Operator/SecondQuantized/GSQTwoElectronOperator.hpp"

#include "Operator/SecondQuantized/MixedUSQTwoElectronOperatorComponent.hpp"

#include "Operator/SecondQuantized/ModelHamiltonian/AdjacencyMatrix.hpp"

#include "Operator/SecondQuantized/ModelHamiltonian/HoppingMatrix.hpp"

#include "Operator/SecondQuantized/ModelHamiltonian/HubbardHamiltonian.hpp"

#include "Operator/SecondQuantized/OperatorTraits.hpp"

#include "Operator/SecondQuantized/PureUSQTwoElectronOperatorComponent.hpp"

#include "Operator/SecondQuantized/RSQOneElectronOperator.hpp"

#include "Operator/SecondQuantized/RSQTwoElectronOperator.hpp"

#include "Operator/SecondQuantized/SQHamiltonian.hpp"

#include "Operator/SecondQuantized/SQOperatorStorage.hpp"

#include "Operator/SecondQuantized/SQOperatorStorageBase.hpp"

#include "Operator/SecondQuantized/SimpleSQOneElectronOperator.hpp"

#include "Operator/SecondQuantized/SimpleSQTwoElectronOperator.hpp"

#include "Operator/SecondQuantized/USQOneElectronOperator.hpp"

#include "Operator/SecondQuantized/USQOneElectronOperatorComponent.hpp"

#include "Operator/SecondQuantized/USQTwoElectronOperator.hpp"

#include "Partition/DiscreteDomainPartition.hpp"

#include "Partition/DomainPartition.hpp"

#include "Partition/ONVPartition.hpp"

#include "Partition/PartitionTraits.hpp"

#include "Partition/SimplePartition.hpp"

#include "Partition/SpinResolvedElectronPartition.hpp"

#include "Partition/SpinUnresolvedElectronPartition.hpp"

#include "Physical/HomogeneousMagneticField.hpp"

#include "Physical/units.hpp"

#include "Processing/Properties/BaseElectricalResponseSolver.hpp"

#include "Processing/Properties/CIElectricalResponseSolver.hpp"

#include "Processing/Properties/DysonOrbital.hpp"

#include "Processing/Properties/RHFElectricalResponseSolver.hpp"

#include "Processing/Properties/expectation_values.hpp"

#include "Processing/Properties/properties.hpp"

#include "Processing/Properties/vAP1roGElectricalResponseSolver.hpp"

#include "QCMethod/CC/CCD.hpp"

#include "QCMethod/CC/CCDAmplitudesUpdate.hpp"

#include "QCMethod/CC/CCDEnergyCalculation.hpp"

#include "QCMethod/CC/CCDIntermediatesUpdate.hpp"

#include "QCMethod/CC/CCDSolver.hpp"

#include "QCMethod/CC/CCSD.hpp"

#include "QCMethod/CC/CCSDAmplitudesUpdate.hpp"

#include "QCMethod/CC/CCSDEnergyCalculation.hpp"

#include "QCMethod/CC/CCSDEnvironment.hpp"

#include "QCMethod/CC/CCSDIntermediatesUpdate.hpp"

#include "QCMethod/CC/CCSDSolver.hpp"

#include "QCMethod/CC/T2DIIS.hpp"

#include "QCMethod/CC/T2ErrorCalculation.hpp"

#include "QCMethod/CI/CI.hpp"

#include "QCMethod/CI/CIEnvironment.hpp"

#include "QCMethod/CI/DOCINewtonOrbitalOptimizer.hpp"

#include "QCMethod/Geminals/AP1roG.hpp"

#include "QCMethod/Geminals/AP1roGJacobiOrbitalOptimizer.hpp"

#include "QCMethod/Geminals/AP1roGLagrangianNewtonOrbitalOptimizer.hpp"

#include "QCMethod/Geminals/PSEnvironment.hpp"

#include "QCMethod/Geminals/vAP1roG.hpp"

#include "QCMethod/HF/GHF/GHF.hpp"

#include "QCMethod/HF/GHF/GHFDensityMatrixCalculation.hpp"

#include "QCMethod/HF/GHF/GHFElectronicEnergyCalculation.hpp"

#include "QCMethod/HF/GHF/GHFErrorCalculation.hpp"

#include "QCMethod/HF/GHF/GHFFockMatrixCalculation.hpp"

#include "QCMethod/HF/GHF/GHFFockMatrixDIIS.hpp"

#include "QCMethod/HF/GHF/GHFFockMatrixDiagonalization.hpp"

#include "QCMethod/HF/GHF/GHFSCFEnvironment.hpp"

#include "QCMethod/HF/GHF/GHFSCFSolver.hpp"

#include "QCMethod/HF/RHF/DiagonalRHFFockMatrixObjective.hpp"

#include "QCMethod/HF/RHF/RHF.hpp"

#include "QCMethod/HF/RHF/RHFDensityMatrixCalculation.hpp"

#include "QCMethod/HF/RHF/RHFDensityMatrixDamper.hpp"

#include "QCMethod/HF/RHF/RHFElectronicEnergyCalculation.hpp"

#include "QCMethod/HF/RHF/RHFErrorCalculation.hpp"

#include "QCMethod/HF/RHF/RHFFockMatrixCalculation.hpp"

#include "QCMethod/HF/RHF/RHFFockMatrixDIIS.hpp"

#include "QCMethod/HF/RHF/RHFFockMatrixDiagonalization.hpp"

#include "QCMethod/HF/RHF/RHFSCFEnvironment.hpp"

#include "QCMethod/HF/RHF/RHFSCFSolver.hpp"

#include "QCMethod/HF/UHF/UHF.hpp"

#include "QCMethod/HF/UHF/UHFDensityMatrixCalculation.hpp"

#include "QCMethod/HF/UHF/UHFElectronicEnergyCalculation.hpp"

#include "QCMethod/HF/UHF/UHFErrorCalculation.hpp"

#include "QCMethod/HF/UHF/UHFFockMatrixCalculation.hpp"

#include "QCMethod/HF/UHF/UHFFockMatrixDIIS.hpp"

#include "QCMethod/HF/UHF/UHFFockMatrixDiagonalization.hpp"

#include "QCMethod/HF/UHF/UHFSCFEnvironment.hpp"

#include "QCMethod/HF/UHF/UHFSCFSolver.hpp"

#include "QCMethod/OrbitalOptimization/BaseOrbitalOptimizer.hpp"

#include "QCMethod/OrbitalOptimization/JacobiOrbitalOptimizer.hpp"

#include "QCMethod/OrbitalOptimization/Localization/ERJacobiLocalizer.hpp"

#include "QCMethod/OrbitalOptimization/Localization/ERNewtonLocalizer.hpp"

#include "QCMethod/OrbitalOptimization/NewtonOrbitalOptimizer.hpp"

#include "QCMethod/OrbitalOptimization/QCMethodNewtonOrbitalOptimizer.hpp"

#include "QCMethod/QCStructure.hpp"

#include "QCMethod/RMP2/RMP2.hpp"

#include "QCModel/CC/CCD.hpp"

#include "QCModel/CC/CCSD.hpp"

#include "QCModel/CC/T1Amplitudes.hpp"

#include "QCModel/CC/T2Amplitudes.hpp"

#include "QCModel/CI/LinearExpansion.hpp"

#include "QCModel/Geminals/AP1roG.hpp"

#include "QCModel/Geminals/AP1roGGeminalCoefficients.hpp"

#include "QCModel/Geminals/APIGGeminalCoefficients.hpp"

#include "QCModel/Geminals/GeminalCoefficientsInterface.hpp"

#include "QCModel/HF/GHF.hpp"

#include "QCModel/HF/RHF.hpp"

#include "QCModel/HF/StabilityMatrices/GHFStabilityMatrices.hpp"

#include "QCModel/HF/StabilityMatrices/RHFStabilityMatrices.hpp"

#include "QCModel/HF/StabilityMatrices/UHFStabilityMatrices.hpp"

#include "QCModel/HF/UHF.hpp"

#include "QuantumChemical/DoublySpinResolvedBase.hpp"

#include "QuantumChemical/Spin.hpp"

#include "QuantumChemical/SpinResolved.hpp"

#include "QuantumChemical/SpinResolvedBase.hpp"

#include "QuantumChemical/spinor_tags.hpp"

#include "Utilities/CRTP.hpp"

#include "Utilities/Eigen.hpp"

#include "Utilities/aliases.hpp"

#include "Utilities/complex.hpp"

#include "Utilities/memory.hpp"

#include "Utilities/miscellaneous.hpp"

#include "Utilities/type_traits.hpp"

AP1roGGeminalCoefficients.hpp

AP1roGJacobiOrbitalOptimizer.hpp

AP1roGLagrangianNewtonOrbitalOptimizer.hpp

APIGGeminalCoefficients.hpp

AdjacencyMatrix.hpp

Step.hpp

Algorithm.hpp

AngularMomentumOperator.hpp

Array.hpp

BaseElectricalResponseSolver.hpp

BaseFQOperator.hpp

BaseHessianModifier.hpp

BaseMatrixPrimitiveIntegralEngine.hpp

BaseNuclearOperator.hpp

BaseOneElectronIntegralBuffer.hpp

BaseOneElectronIntegralEngine.hpp

BaseOrbitalOptimizer.hpp

BaseReferenceDependentOperator.hpp

BaseScalarPrimitiveIntegralEngine.hpp

BaseTwoElectronIntegralBuffer.hpp

BaseTwoElectronIntegralEngine.hpp

BaseVectorPrimitiveIntegralEngine.hpp

BasisTransformable.hpp

BoysFunction.hpp

CCDAmplitudesUpdate.hpp

CCDEnergyCalculation.hpp

CCDIntermediatesUpdate.hpp

CCDSolver.hpp

CCSDAmplitudesUpdate.hpp

CCSDEnergyCalculation.hpp

CCSDEnvironment.hpp

CCSDIntermediatesUpdate.hpp

CCSDSolver.hpp

CI.hpp

CIElectricalResponseSolver.hpp

CIEnvironment.hpp

CRTP.hpp

CartesianDirection.hpp

CartesianExponents.hpp

CartesianGTO.hpp

CompoundConvergenceCriterion.hpp

ConsecutiveIteratesNormConvergence.hpp

ConstantDamper.hpp

ConvergenceCriterion.hpp

CorrectionVectorCalculation.hpp

CoulombRepulsionOperator.hpp

CubicGrid.hpp

CurrentDensityMatrixElement.hpp

CurrentDensityOperator.hpp

DIIS.hpp

DOCINewtonOrbitalOptimizer.hpp

DavidsonSolver.hpp

DenseDiagonalization.hpp

DenseVectorizer.hpp

DensityMatrixTraits.hpp

DiagonalRHFFockMatrixObjective.hpp

DiamagneticOperator.hpp

DoubleLondonHermiteCoulombIntegral.hpp

DoublySpinResolvedBase.hpp

DyadicCartesianDirection.hpp

DysonOrbital.hpp

ERJacobiLocalizer.hpp

ERNewtonLocalizer.hpp

Eigen.hpp

Eigenpair.hpp

EigenproblemEnvironment.hpp

EigenproblemSolver.hpp

ElectronicDipoleOperator.hpp

ElectronicQuadrupoleOperator.hpp

ElectronicSpin_zOperator.hpp

ElectronicSpinOperator.hpp

EvaluableLinearCombination.hpp

EvaluableRSQOneElectronOperator.hpp

FQMolecularHamiltonian.hpp

FQMolecularPauliHamiltonian.hpp

Field.hpp

Function.hpp

FunctionalOneElectronPrimitiveIntegralEngine.hpp

FunctionalStep.hpp

FunctionalTwoElectronPrimitiveIntegralEngine.hpp

G1DM.hpp

G2DM.hpp

GHFDensityMatrixCalculation.hpp

GHFElectronicEnergyCalculation.hpp

GHFErrorCalculation.hpp

GHFFockMatrixCalculation.hpp

GHFFockMatrixDIIS.hpp

GHFFockMatrixDiagonalization.hpp

GHFSCFEnvironment.hpp

GHFSCFSolver.hpp

GMullikenDomain.hpp

GOrbitalRotationGenerators.hpp

GSQOneElectronOperator.hpp

GSQTwoElectronOperator.hpp

GSpinorBasis.hpp

GTOBasisSet.hpp

GTOShell.hpp

GTransformation.hpp

GeminalCoefficientsInterface.hpp

GeneralizedDenseDiagonalization.hpp

GeneralizedEigenproblemEnvironment.hpp

GeneralizedEigenproblemSolver.hpp

GuessVectorUpdate.hpp

HermiteCoulombIntegral.hpp

HomogeneousMagneticField.hpp

HoppingMatrix.hpp

HubbardHamiltonian.hpp

ImplicitMatrixSlice.hpp

ImplicitRankFourTensorSlice.hpp

IntegralCalculator.hpp

IntegralEngine.hpp

IterativeAlgorithm.hpp

IterativeIdentitiesHessianModifier.hpp

JacobiOrbitalOptimizer.hpp

JacobiRotatable.hpp

JacobiRotation.hpp

KineticOperator.hpp

LeviCivitaTensor.hpp

LibcintInterfacer.hpp

LibcintOneElectronIntegralBuffer.hpp

LibcintOneElectronIntegralEngine.hpp

LibcintTwoElectronIntegralBuffer.hpp

LibcintTwoElectronIntegralEngine.hpp

LibintInterfacer.hpp

LibintOneElectronIntegralBuffer.hpp

LibintOneElectronIntegralEngine.hpp

LibintTwoElectronIntegralBuffer.hpp

LibintTwoElectronIntegralEngine.hpp

LinearExpansion.hpp

LinearMomentumOperator.hpp

LondonGTOShell.hpp

LondonHermiteCoulombIntegral.hpp

Matrix.hpp

MatrixRepresentationEvaluationContainer.hpp

MatrixVectorProductCalculation.hpp

McMurchieDavidsonCoefficient.hpp

NewtonStepUpdate.hpp

MinimizationEnvironment.hpp

Minimizer.hpp

MixedSpinResolved2DMComponent.hpp

MixedUSQTwoElectronOperatorComponent.hpp

Molecule.hpp

NewtonOrbitalOptimizer.hpp

NewtonStepUpdate.hpp

NonLinearEquationEnvironment.hpp

NonLinearEquationSolver.hpp

NuclearAttractionOperator.hpp

NuclearDipoleOperator.hpp

NuclearFramework.hpp

NuclearRepulsionOperator.hpp

Nucleus.hpp

OccupationType.hpp

OneElectronIntegralBuffer.hpp

OneElectronIntegralEngine.hpp

OperatorTraits.hpp

step.hpp

OptimizationEnvironment.hpp

Orbital1DM.hpp

Orbital2DM.hpp

OrbitalRotationGeneratorTraits.hpp

OrbitalSpace.hpp

OrbitalZeemanOperator.hpp

OverlapOperator.hpp

PSEnvironment.hpp

PrimitiveAngularMomentumIntegralEngine.hpp

PrimitiveCanonicalKineticEnergyIntegralEngine.hpp

PrimitiveCoulombRepulsionIntegralEngine.hpp

PrimitiveElectronicDipoleIntegralEngine.hpp

PrimitiveElectronicQuadrupoleIntegralEngine.hpp

PrimitiveLinearMomentumIntegralEngine.hpp

PrimitiveNuclearAttractionIntegralEngine.hpp

PrimitiveOverlapIntegralEngine.hpp

PureSpinResolved2DMComponent.hpp

PureUSQTwoElectronOperatorComponent.hpp

CCD.hpp

CCSD.hpp

AP1roG.hpp

vAP1roG.hpp

GHF.hpp

RHF.hpp

UHF.hpp

QCMethodNewtonOrbitalOptimizer.hpp

CCD.hpp

CCSD.hpp

AP1roG.hpp

GHF.hpp

RHF.hpp

UHF.hpp

QCStructure.hpp

RHFDensityMatrixCalculation.hpp

RHFDensityMatrixDamper.hpp

RHFElectricalResponseSolver.hpp

RHFElectronicEnergyCalculation.hpp

RHFErrorCalculation.hpp

RHFFockMatrixCalculation.hpp

RHFFockMatrixDIIS.hpp

RHFFockMatrixDiagonalization.hpp

RHFSCFEnvironment.hpp

RHFSCFSolver.hpp

RMP2.hpp

RMullikenDomain.hpp

ROrbitalRotationGenerators.hpp

RSQOneElectronOperator.hpp

RSQTwoElectronOperator.hpp

RSpinOrbitalBasis.hpp

RTransformation.hpp

ResidualVectorCalculation.hpp

ResidualVectorConvergence.hpp

SQHamiltonian.hpp

SQOperatorStorage.hpp

SQOperatorStorageBase.hpp

ScalarBasis.hpp

ShellSet.hpp

Simple1DM.hpp

Simple2DM.hpp

SimpleOrbitalRotationGenerators.hpp

SimpleSQOneElectronOperator.hpp

SimpleSQTwoElectronOperator.hpp

SimpleSpinOrbitalBasis.hpp

SimpleSpinorBasis.hpp

SimpleTransformation.hpp

Spin.hpp

SpinDensity1DM.hpp

SpinResolved1DM.hpp

SpinResolved1DMComponent.hpp

SpinResolved2DM.hpp

SpinResolved.hpp

SpinResolvedBase.hpp

SpinResolvedBasisTransformable.hpp

SpinResolvedJacobiRotatable.hpp

SpinResolvedOrbitalSpace.hpp

SpinZeemanOperator.hpp

Spinor.hpp

SquareMatrix.hpp

SquareRankFourTensor.hpp

StepCollection.hpp

StorageArray.hpp

SubspaceMatrixCalculation.hpp

SubspaceMatrixDiagonalization.hpp

SubspaceUpdate.hpp

T1Amplitudes.hpp

T2Amplitudes.hpp

T2DIIS.hpp

T2ErrorCalculation.hpp

Tensor.hpp

TwoElectronIntegralBuffer.hpp

TwoElectronIntegralEngine.hpp

UHFDensityMatrixCalculation.hpp

UHFElectronicEnergyCalculation.hpp

UHFErrorCalculation.hpp

UHFFockMatrixCalculation.hpp

UHFFockMatrixDIIS.hpp

UHFFockMatrixDiagonalization.hpp

UHFSCFEnvironment.hpp

UHFSCFSolver.hpp

UJacobiRotation.hpp

UMullikenDomain.hpp

UMullikenDomainComponent.hpp

UOrbitalRotationGenerators.hpp

UOrbitalRotationGeneratorsComponent.hpp

USQOneElectronOperator.hpp

USQOneElectronOperatorComponent.hpp

USQTwoElectronOperator.hpp

USpinOrbitalBasis.hpp

USpinOrbitalBasisComponent.hpp

UTransformation.hpp

UTransformationComponent.hpp

UnalteringHessianModifier.hpp

VectorSpaceArithmetic.hpp

WeightedGrid.hpp

aliases.hpp

complex.hpp

elements.hpp

expectation_values.hpp

memory.hpp

miscellaneous.hpp

properties.hpp

spinor_tags.hpp

transform.hpp

type_traits.hpp

units.hpp

vAP1roGElectricalResponseSolver.hpp