votca 2024-dev
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votca::xtp::PairCalculator Member List

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

Calculator()=defaultvotca::tools::Calculator
Evaluate(Topology &top)=0votca::xtp::QMCalculatorprotectedpure virtual
EvaluateFrame(Topology *top)votca::xtp::PairCalculator
votca::xtp::QMCalculator::EvaluateFrame(Topology &top)votca::xtp::QMCalculator
EvaluatePair(Topology *top, QMPair *pair)votca::xtp::PairCalculatorinlinevirtual
Identify() const override=0votca::xtp::QMCalculatorpure virtual
Initialize(const tools::Property &opt) finalvotca::xtp::QMCalculatorvirtual
maverick_votca::tools::Calculatorprotected
nThreads_votca::tools::Calculatorprotected
Package() const finalvotca::xtp::QMCalculatorinlinevirtual
PairCalculator()votca::xtp::PairCalculatorinline
ParseOptions(const tools::Property &opt)=0votca::xtp::QMCalculatorprotectedpure virtual
QMCalculator()=defaultvotca::xtp::QMCalculator
setnThreads(Index nThreads)votca::tools::Calculatorinline
WriteToStateFile() const =0votca::xtp::QMCalculatorpure virtual
~Calculator()=defaultvotca::tools::Calculatorvirtual
~PairCalculator()votca::xtp::PairCalculatorinlinevirtual
~QMCalculator() override=defaultvotca::xtp::QMCalculator
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