votca 2024.2-dev
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votca::xtp::IAnalyze Member List

This is the complete list of members for votca::xtp::IAnalyze, including all inherited members.

Calculator()=defaultvotca::tools::Calculator
do_IRdependence_votca::xtp::IAnalyzeprivate
do_pairtype_votca::xtp::IAnalyzeprivate
Evaluate(Topology &top)votca::xtp::IAnalyzeprotectedvirtual
EvaluateFrame(Topology &top)votca::xtp::QMCalculator
Identify() constvotca::xtp::IAnalyzeinlinevirtual
IHist(Topology &top, QMStateType state)votca::xtp::IAnalyzeprivate
Initialize(const tools::Property &opt) finalvotca::xtp::QMCalculatorvirtual
IRdependence(Topology &top, QMStateType state)votca::xtp::IAnalyzeprivate
maverick_votca::tools::Calculatorprotected
nThreads_votca::tools::Calculatorprotected
Package() const finalvotca::xtp::QMCalculatorinlinevirtual
pairtype_votca::xtp::IAnalyzeprivate
ParseOptions(const tools::Property &user_options)votca::xtp::IAnalyzeprotectedvirtual
QMCalculator()=defaultvotca::xtp::QMCalculator
resolution_logJ2_votca::xtp::IAnalyzeprivate
resolution_spatial_votca::xtp::IAnalyzeprivate
setnThreads(Index nThreads)votca::tools::Calculatorinline
states_votca::xtp::IAnalyzeprivate
WriteToStateFile() constvotca::xtp::IAnalyzeinlinevirtual
~Calculator()=defaultvotca::tools::Calculatorvirtual
~QMCalculator() override=defaultvotca::xtp::QMCalculator
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