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

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

Calculator()=defaultvotca::tools::Calculator
Evaluate(const Topology &top)=0votca::xtp::JobCalculatorprotectedpure virtual
EvaluateFrame(const Topology &top)votca::xtp::JobCalculatorinline
Identify() const override=0votca::xtp::JobCalculatorpure virtual
Initialize(const tools::Property &opt) finalvotca::xtp::JobCalculatorinlinevirtual
JobCalculator()=defaultvotca::xtp::JobCalculator
maverick_votca::tools::Calculatorprotected
nThreads_votca::tools::Calculatorprotected
openmp_threads_votca::xtp::JobCalculatorprotected
Package() const finalvotca::xtp::JobCalculatorinlinevirtual
ParseOptions(const tools::Property &opt)=0votca::xtp::JobCalculatorprotectedpure virtual
progObs_votca::xtp::JobCalculatorprotected
ReadJobFile(Topology &top)=0votca::xtp::JobCalculatorpure virtual
setnThreads(Index nThreads)votca::tools::Calculatorinline
setOpenMPThreads(Index ompthreads)votca::xtp::JobCalculatorinline
setProgObserver(ProgObserver< std::vector< Job > > *obs)votca::xtp::JobCalculatorinline
WriteJobFile(const Topology &top)=0votca::xtp::JobCalculatorpure virtual
~Calculator()=defaultvotca::tools::Calculatorvirtual
~JobCalculator() override=defaultvotca::xtp::JobCalculator
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