ergo
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#include <Interval.h>
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Interval (Treal low=1, Treal upp=-1) | |
bool | empty () const |
void | intersect (Interval const &other) |
void | intersect_always_non_empty (Interval const &other) |
Treal | length () const |
Returns the length of the interval. More... | |
Treal | midPoint () const |
bool | cover (Treal const value) const |
bool | overlap (Interval const &other) const |
void | increase (Treal const value) |
Increases interval with value in both directions. More... | |
void | decrease (Treal const value) |
Treal | low () const |
Treal | upp () const |
Interval< Treal > | operator* (Treal const &value) const |
Interval< Treal > | operator- (Interval< Treal > const &other) const |
Interval< Treal > | operator+ (Interval< Treal > const &other) const |
Interval< Treal > | operator/ (Treal const &value) const |
Interval< Treal > | operator- (Treal const &value) const |
Interval< Treal > | operator+ (Treal const &value) const |
void | puriStep (int poly) |
void | invPuriStep (int poly) |
void | puriStep (int poly, Treal alpha) |
void | invPuriStep (int poly, Treal alpha) |
Static Public Member Functions | |
static Interval | intersect (Interval const &A, Interval const &B) |
Protected Attributes | |
Treal | lowerBound |
Treal | upperBound |
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Referenced by mat::Interval< ergo_real >::intersect().
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Referenced by mat::Interval< ergo_real >::cover(), per::Perturbation< Treal, Tmatrix, Tvector >::dryRun(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::estimateStepsLeft(), mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::exchangeInfoWithNext(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::getOptimalThresh(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::improveCorrectOccupation(), mat::Interval< ergo_real >::increase(), mat::Interval< ergo_real >::intersect(), mat::Interval< ergo_real >::intersect_always_non_empty(), mat::Interval< ergo_real >::length(), mat::Interval< ergo_real >::midPoint(), mat::operator<<(), mat::Interval< ergo_real >::overlap(), mat::Purification< Treal, Tmatrix, TdebugPolicy >::Purification(), pur::Purification_scaled< Tmatrix >::Purification_scaled(), and mat::sqrtInt().
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Increases interval with value in both directions.
Useful for error control.
Referenced by mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::exchangeInfoWithNext(), SCF_restricted::get_2e_part_and_energy(), get_dens_from_fock_sparse(), pur::Purification_scaled< Tmatrix >::get_homo_lumo_intervals(), pur::Step< Treal >::propagate_homo_to_previous(), pur::Step< Treal >::propagate_lumo_to_previous(), mat::Purification< Treal, Tmatrix, TdebugPolicy >::Purification(), pur::Purification_scaled< Tmatrix >::Purification_scaled(), pur::Purification_scaled< Tmatrix >::purify(), and mat::Purification< Treal, Tmatrix, TdebugPolicy >::stepComputeInfo().
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Referenced by mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::exchangeInfoWithNext(), get_dens_from_fock_sparse(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::improveCorrectOccupation(), mat::Interval< ergo_real >::intersect_always_non_empty(), mat::Interval< Treal >::invPuriStep(), mat::Interval< ergo_real >::overlap(), pur::Purification_scaled< Tmatrix >::Purification_scaled(), mat::Interval< Treal >::puriStep(), and mat::Purification< Treal, Tmatrix, TdebugPolicy >::stepComputeInfo().
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void mat::Interval< Treal >::invPuriStep | ( | int | poly | ) |
References mat::Interval< Treal >::intersect(), mat::Interval< Treal >::lowerBound, template_blas_sqrt(), and mat::Interval< Treal >::upperBound.
Referenced by mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::exchangeInfoWithNext(), mat::Interval< ergo_real >::operator+(), pur::Step< Treal >::propagate_homo_to_previous(), and pur::Step< Treal >::propagate_lumo_to_previous().
void mat::Interval< Treal >::invPuriStep | ( | int | poly, |
Treal | alpha | ||
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Returns the length of the interval.
0 if empty.
Referenced by per::Perturbation< Treal, Tmatrix, Tvector >::dryRun(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::estimateStepsLeft(), mat::MatrixTriangular< Treal, Tmatrix >::eucl(), mat::MatrixGeneral< Treal, Tmatrix >::eucl(), mat::MatrixSymmetric< Treal, Tmatrix >::euclDiffIfSmall(), mat::EuclTruncationSymm< Tmatrix, Treal >::euclIfSmall(), mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >::euclIfSmall(), mat::EuclTruncationGeneral< Tmatrix, Treal >::euclIfSmall(), mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >::euclIfSmall(), pur::Purification_scaled< Tmatrix >::improve_homo_lumo_based_on_normXmX2(), mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::improveHomoLumo(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::ShouldComputeXmX2EuclNormAccurately(), and mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::subspaceError().
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Referenced by pur::Purification_scaled< Tmatrix >::converged(), SCF_restricted::disturb_fock_matrix(), per::Perturbation< Treal, Tmatrix, Tvector >::dryRun(), pur::Purification_scaled< Tmatrix >::estimated_steps_left(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::estimateStepsLeft(), mat::MatrixTriangular< Treal, Tmatrix >::eucl(), mat::MatrixGeneral< Treal, Tmatrix >::eucl(), mat::EuclTruncationGeneral< Tmatrix, Treal >::euclIfSmall(), SCF_restricted::get_2e_part_and_energy(), get_dens_from_fock_sparse(), pur::Purification_scaled< Tmatrix >::get_homo_lumo_intervals(), pur::Purification_scaled< Tmatrix >::improve_homo_lumo_based_on_normXmX2(), mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::improveHomoLumo(), mat::operator<<(), mat::Purification< Treal, Tmatrix, TdebugPolicy >::Purification(), pur::Purification_scaled< Tmatrix >::Purification_scaled(), pur::Purification_scaled< Tmatrix >::purify(), run_one_puri_mmul_test(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::ShouldComputeXmX2EuclNormAccurately(), simple_purification(), and mat::sqrtInt().
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Referenced by per::Perturbation< Treal, Tmatrix, Tvector >::dryRun(), mat::MatrixTriangular< Treal, Tmatrix >::eucl(), mat::MatrixGeneral< Treal, Tmatrix >::eucl(), mat::MatrixSymmetric< Treal, Tmatrix >::eucl_diff(), mat::MatrixSymmetric< Treal, Tmatrix >::euclDiffIfSmall(), mat::EuclTruncationSymm< Tmatrix, Treal >::euclIfSmall(), mat::EuclTruncationSymmWithZ< Tmatrix, TmatrixZ, Treal >::euclIfSmall(), mat::EuclTruncationGeneral< Tmatrix, Treal >::euclIfSmall(), mat::EuclTruncationCongrTransMeasure< Tmatrix, TmatrixB, Treal >::euclIfSmall(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::getThreshIncreasingGap(), and mat::Interval< Treal >::puriStep().
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Referenced by mat::Interval< ergo_real >::upp().
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void mat::Interval< Treal >::puriStep | ( | int | poly | ) |
References mat::Interval< Treal >::intersect(), mat::Interval< Treal >::lowerBound, mat::Interval< Treal >::midPoint(), and mat::Interval< Treal >::upperBound.
Referenced by pur::Purification_scaled< Tmatrix >::estimated_steps_left(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::estimateStepsLeft(), mat::PuriStepInfo< Treal, Tvector, TdebugPolicy >::exchangeInfoWithNext(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::improveCorrectOccupation(), mat::Interval< ergo_real >::operator+(), pur::Purification_scaled< Tmatrix >::purify(), and mat::PuriInfo< Treal, Tvector, TdebugPolicy >::ShouldComputeXmX2EuclNormAccurately().
void mat::Interval< Treal >::puriStep | ( | int | poly, |
Treal | alpha | ||
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Referenced by pur::Purification_scaled< Tmatrix >::converged(), SCF_restricted::disturb_fock_matrix(), per::Perturbation< Treal, Tmatrix, Tvector >::dryRun(), pur::Purification_scaled< Tmatrix >::estimated_steps_left(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::estimateStepsLeft(), mat::EuclTruncationGeneral< Tmatrix, Treal >::euclIfSmall(), SCF_restricted::get_2e_part_and_energy(), get_dens_from_fock_sparse(), pur::Purification_scaled< Tmatrix >::get_homo_lumo_intervals(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::getOptimalThresh(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::getThreshIncreasingGap(), pur::Purification_scaled< Tmatrix >::improve_homo_lumo_based_on_normXmX2(), mat::operator<<(), mat::Purification< Treal, Tmatrix, TdebugPolicy >::Purification(), pur::Purification_scaled< Tmatrix >::Purification_scaled(), pur::Purification_scaled< Tmatrix >::purify(), mat::EuclTruncationBase< Tmatrix, Treal >::run(), run_one_puri_mmul_test(), mat::PuriInfo< Treal, Tvector, TdebugPolicy >::ShouldComputeXmX2EuclNormAccurately(), simple_purification(), mat::sqrtInt(), and mat::Purification< Treal, Tmatrix, TdebugPolicy >::stepComputeInfo().
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Referenced by mat::Interval< ergo_real >::cover(), mat::Interval< ergo_real >::decrease(), mat::Interval< ergo_real >::empty(), mat::Interval< ergo_real >::increase(), mat::Interval< ergo_real >::intersect(), mat::Interval< ergo_real >::intersect_always_non_empty(), mat::Interval< Treal >::invPuriStep(), mat::Interval< ergo_real >::length(), mat::Interval< ergo_real >::low(), mat::Interval< ergo_real >::midPoint(), mat::Interval< ergo_real >::operator*(), mat::Interval< ergo_real >::operator+(), mat::Interval< ergo_real >::operator-(), mat::Interval< ergo_real >::operator/(), mat::Interval< Treal >::puriStep(), and mat::Interval< ergo_real >::upp().
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Referenced by mat::Interval< ergo_real >::decrease(), mat::Interval< ergo_real >::empty(), mat::Interval< ergo_real >::increase(), mat::Interval< ergo_real >::intersect(), mat::Interval< ergo_real >::intersect_always_non_empty(), mat::Interval< Treal >::invPuriStep(), mat::Interval< ergo_real >::length(), mat::Interval< ergo_real >::midPoint(), mat::Interval< ergo_real >::operator*(), mat::Interval< ergo_real >::operator+(), mat::Interval< ergo_real >::operator-(), mat::Interval< ergo_real >::operator/(), mat::Interval< Treal >::puriStep(), and mat::Interval< ergo_real >::upp().