votca 2026-dev
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votca::xtp::GW_UKS::QPFunc Class Reference
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Public Member Functions

 QPFunc (Index gw_level, const Sigma_base_UKS &sigma, double offset)
std::pair< double, double > operator() (double frequency) const
double sigma (double frequency, EvalStage stage=EvalStage::Other) const
void Prefetch (const std::vector< double > &frequencies) const
double value (double frequency, EvalStage stage=EvalStage::Other) const
double deriv (double frequency) const
const QPStats & GetStats () const

Private Member Functions

void CountSigmaStage (EvalStage stage) const

Static Private Member Functions

static std::uint64_t FrequencyKey (double x)

Private Attributes

Index gw_level_
double offset_
const Sigma_base_UKS & sigma_c_func_
std::unordered_set< std::uint64_t > seen_frequencies_
std::unordered_map< std::uint64_t, double > cache_
QPStats stats_

Detailed Description

Definition at line 129 of file gw_uks.h.

Constructor & Destructor Documentation

◆ QPFunc()

votca::xtp::GW_UKS::QPFunc::QPFunc ( Index gw_level,
const Sigma_base_UKS & sigma,
double offset )
inline

Definition at line 131 of file gw_uks.h.

Member Function Documentation

◆ CountSigmaStage()

void votca::xtp::GW_UKS::QPFunc::CountSigmaStage ( EvalStage stage) const
inlineprivate

Definition at line 202 of file gw_uks.h.

◆ deriv()

double votca::xtp::GW_UKS::QPFunc::deriv ( double frequency) const
inline

Definition at line 184 of file gw_uks.h.

◆ FrequencyKey()

std::uint64_t votca::xtp::GW_UKS::QPFunc::FrequencyKey ( double x)
inlinestaticprivate

Definition at line 194 of file gw_uks.h.

◆ GetStats()

const QPStats & votca::xtp::GW_UKS::QPFunc::GetStats ( ) const
inline

Definition at line 191 of file gw_uks.h.

◆ operator()()

std::pair< double, double > votca::xtp::GW_UKS::QPFunc::operator() ( double frequency) const
inline

Definition at line 134 of file gw_uks.h.

◆ Prefetch()

void votca::xtp::GW_UKS::QPFunc::Prefetch ( const std::vector< double > & frequencies) const
inline

Evaluates Sigma_c at these frequencies in one batch and keeps the values for later sigma() calls at exactly these frequencies (as GW::QPFunc::Prefetch).

Definition at line 162 of file gw_uks.h.

◆ sigma()

double votca::xtp::GW_UKS::QPFunc::sigma ( double frequency,
EvalStage stage = EvalStage::Other ) const
inline

Definition at line 141 of file gw_uks.h.

◆ value()

double votca::xtp::GW_UKS::QPFunc::value ( double frequency,
EvalStage stage = EvalStage::Other ) const
inline

Definition at line 180 of file gw_uks.h.

Member Data Documentation

◆ cache_

std::unordered_map<std::uint64_t, double> votca::xtp::GW_UKS::QPFunc::cache_
mutableprivate

Definition at line 225 of file gw_uks.h.

◆ gw_level_

Index votca::xtp::GW_UKS::QPFunc::gw_level_
private

Definition at line 220 of file gw_uks.h.

◆ offset_

double votca::xtp::GW_UKS::QPFunc::offset_
private

Definition at line 221 of file gw_uks.h.

◆ seen_frequencies_

std::unordered_set<std::uint64_t> votca::xtp::GW_UKS::QPFunc::seen_frequencies_
mutableprivate

Definition at line 224 of file gw_uks.h.

◆ sigma_c_func_

const Sigma_base_UKS& votca::xtp::GW_UKS::QPFunc::sigma_c_func_
private

Definition at line 222 of file gw_uks.h.

◆ stats_

QPStats votca::xtp::GW_UKS::QPFunc::stats_
mutableprivate

Definition at line 226 of file gw_uks.h.

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