sc::Compute Class Reference

The Compute class provides a means of keeping results up to date. More...

#include <util/misc/compute.h>

Inheritance diagram for sc::Compute:

Public Member Functions
virtual bool	throw_if_tolerance_exceeded () const
virtual void	obsolete ()
	Marks all results as being out of date. More...

Protected Member Functions
virtual void	compute ()=0
	Recompute at least the results that have compute true and are not already computed. More...

Friends
class	ResultInfo
class	AccResultInfo

Detailed Description

The Compute class provides a means of keeping results up to date.

Derived classes can have member data which is registered with the compute class. When this member data is accessed and it is not available, the compute member function is called. The compute member must be implemented in derived classes and is responsible for computed the requested result.

Member Function Documentation

compute()

virtual void sc::Compute::compute ( )

protectedpure virtual

Recompute at least the results that have compute true and are not already computed.

This should only be called by Result's members.

Implemented in sc::LMP2, sc::ETraIn, sc::Volume, mpqc::TA::CLSCF, sc::OBWfnRDMCumulantTwo, sc::SumMolecularEnergy, sc::SpinFreeRDM< R >, sc::SpinFreeRDM< Two >, sc::SpinFreeRDM< One >, sc::PT2R12, sc::PsiCorrWavefunction, sc::PsiRASSCF, sc::RDMCumulant< R >, sc::RDMCumulant< Two >, sc::MolcasPT2R12, sc::PsiCC3_PT2R12, sc::ExternSpinFreeRDMTwo, sc::PsiCCSD_PT2R12T, sc::PsiCCSD_PT2R12, sc::ExternSpinFreeRDMOne, sc::SuperpositionOfAtomicDensities, sc::BatchElectronDensity, sc::RDM< R >, sc::RDM< Two >, sc::RDM< One >, sc::MBPT2_R12, sc::PsiWavefunction, sc::MBPT2, sc::SCF, sc::CCR12, sc::SpinOrbitalPT2R12, sc::PsiRASCI, sc::TaylorMolecularEnergy, sc::ExternPT2R12, sc::CI, sc::Shape, sc::ElectronDensity, sc::CCSD, sc::CCSD_R12, sc::CCSDPR12, sc::CCSDT, sc::CCSDTQ, sc::Orbital, and sc::MP2BasisExtrap.

obsolete()

virtual void sc::Compute::obsolete ( )

virtual

Marks all results as being out of date.

Any subsequent access to results will cause Compute::compute() to be called.

Reimplemented in sc::ETraIn, sc::PsiSCF, sc::Wavefunction, sc::PT2R12, sc::SCF, sc::SpinFreeRDM< R >, sc::SpinFreeRDM< Two >, sc::SpinFreeRDM< One >, sc::MBPT2, sc::PsiCorrWavefunction, sc::MolcasPT2R12, sc::RDMCumulant< R >, sc::RDMCumulant< Two >, sc::PsiCC, sc::MBPT2_R12, mpqc::TA::Wavefunction, sc::ExternSpinFreeRDMTwo, sc::PsiWavefunction, sc::ExternSpinFreeRDMOne, sc::SuperpositionOfAtomicDensities, sc::PsiCC_PT2R12, sc::RDM< R >, sc::RDM< Two >, sc::RDM< One >, sc::SpinOrbitalPT2R12, sc::ManyBodyWavefunction, sc::CCR12, and sc::ExternPT2R12.

Referenced by sc::Function::get_x_reference().

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The documentation for this class was generated from the following file:

• src/lib/util/misc/compute.h