staticSavableState*sc::SavableState::restore_state(StateIn&si)[static]
Restores objects saved with save_state. The exact type of the next object in si can be any type
publically derived from the SavableState. Derived classes implement a similar static function that
returns a pointer to the derived class. If the objectname is given the directory will be consulted to
find and restore that object.
virtualvoidsc::SavableState::save_data_state(StateOut&)[virtual]
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR
initializes them. This must be implemented by the derived class if the class has data.
Reimplemented in sc::PointGroup, sc::AtomInfo, sc::Units, sc::SCMatrixBlock, sc::G96XFunctional,
sc::mPW91XFunctional, sc::CartMolecularCoor, sc::PW91XFunctional, sc::RedundMolecularCoor,
sc::PBEXFunctional, sc::SymmMolecularCoor, sc::PW86XFunctional, sc::LYPCFunctional,
sc::Becke88XFunctional, sc::XalphaFunctional, sc::IntMolecularCoor, sc::PZ81LCFunctional,
sc::PW92LCFunctional, sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional,
sc::VWN2LCFunctional, sc::VWN1LCFunctional, sc::VWNLCFunctional, sc::SlaterXFunctional, sc::Molecule,
sc::NewP86CFunctional, sc::RadialAngularIntegrator, sc::P86CFunctional, sc::GaussianBasisSet,
sc::PW91CFunctional, sc::SCElementDot, sc::MolecularCoor, sc::SCMatrixDiagSubBlock, sc::SCElementKNorm,
sc::GaussLegendreAngularIntegrator, sc::PBECFunctional, sc::SCElementSumAbs, sc::SCMatrixDiagBlock,
sc::IntCoorGen, sc::SCElementMinAbs, sc::LSDACFunctional, sc::SCElementMaxAbs, sc::StdDenFunctional,
sc::LebedevLaikovIntegrator, sc::SCMatrixLTriSubBlock, sc::SCElementShiftDiagonal,
sc::SCElementScaleDiagonal, sc::MolEnergyConvergence, sc::SCMatrixLTriBlock, sc::SCElementInvert,
sc::SCElementSquareRoot, sc::SCElementAssign, sc::EulerMaclaurinRadialIntegrator, sc::MBPT2,
sc::SCMatrixRectSubBlock, sc::SCElementRandomize, sc::MBPT2_R12, sc::R12IntEval, sc::AngularIntegrator,
sc::SCElementScale, sc::SetIntCoor, sc::SumMolecularEnergy, sc::HCoreWfn, sc::SumDenFunctional,
sc::SCDestructiveElementProduct, sc::RadialIntegrator, sc::SCF, sc::SCMatrixRectBlock,
sc::SCElementScalarProduct, sc::BeckeIntegrationWeight, sc::DiagMolecularHessian, sc::PsiCCSD_T,
sc::SCVectorSimpleSubBlock, sc::NElFunctional, sc::FinDispMolecularHessian, sc::Debugger,
sc::GuessMolecularHessian, sc::PsiCCSD, sc::Wavefunction, sc::TwoBodyMOIntsTransform, sc::SumIntCoor,
sc::LineOpt, sc::IntegrationWeight, sc::MolecularEnergy, sc::SCDimension, sc::SCVectorSimpleBlock,
sc::GaussianShell, sc::R12IntEvalInfo, sc::PowellUpdate, sc::R12IntsAcc_MPIIOFile_Ind,
sc::ReadMolecularHessian, sc::Convergence, sc::Function, sc::DenFunctional, sc::QNewtonOpt,
sc::BFGSUpdate, sc::SCMatrixBlockList, sc::HSOSSCF, sc::MolecularFrequencies, sc::SimpleCo,
sc::MOIndexSpace, sc::SymmSCMatrixSCExtrapError, sc::SelfConsistentExtrapolation, sc::IntegralCCA,
sc::R12IntsAcc, sc::EFCOpt, sc::OverlapOrthog, sc::DIIS, sc::DFPUpdate, sc::DenIntegrator,
sc::SymmSCMatrixNSCExtrapData, sc::Optimize, sc::SumAccumH, sc::MOIntsTransformFactory, sc::Integral,
sc::ShellPairsCints, sc::R12IntsAcc_MPIIOFile, sc::R12IntsAcc_Node0File, sc::PsiSCF, sc::IntCoor,
sc::MP2R12Energy, sc::HSOSKS, sc::SCBlockInfo, sc::SymmSCMatrix4SCExtrapData, sc::OneBodyWavefunction,
sc::UKS, sc::CLSCF, sc::SCExtrapError, sc::R12IntsAcc_MemoryGrp, sc::AccumHNull, sc::CLKS,
sc::UnrestrictedSCF, sc::BEMSolventH, sc::TaylorMolecularEnergy, sc::GDIISOpt, sc::MolecularHessian,
sc::TCSCF, sc::TwoBodyGrid, sc::IntegralCints, sc::TwoBodyMOIntsTransform_ikjy,
sc::TwoBodyMOIntsTransform_ixjy, sc::TwoBodyMOIntsTransform_ijxy, sc::ExtendedHuckelWfn,
sc::HessianUpdate, sc::OSSSCF, sc::NewtonOpt, sc::SteepestDescentOpt, sc::IntegralV3,
sc::SymmSCMatrix2SCExtrapData, sc::PsiWavefunction, sc::ShellPairCints, sc::UHF, sc::AccumH,
sc::SCExtrapData, sc::CLHF, sc::HSOSHF, sc::MP2BasisExtrap, sc::OSSHF, sc::TCHF, and
sc::SymmSCMatrixSCExtrapData.
voidsc::SavableState::save_object_state(StateOut&)
This can be used for saving state when the exact type of the object is known for both the save and the
restore. To restore objects saved in this way the user must directly invoke the object's StateIn&
constructor.
voidsc::SavableState::save_state(StateOut&)
Save the state of the object as specified by the StateOut object. This routine saves the state of the
object (which includes the nonvirtual bases), the virtual bases, and type information. The default
implementation should be adequate.
virtualvoidsc::SavableState::save_vbase_state(StateOut&)[virtual]
Save the virtual bases for the object. This must be done in the same order that the ctor initializes the
virtual bases. This does not include the DescribedClass and SavableState virtual base classes. This must
be implemented by the user if the class has other virtual bases. (These virtual bases must come after
SavableState, if SavableState is virtual.)