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

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

Calculator()=defaultvotca::tools::Calculator
CleanUp()votca::xtp::EQMinline
coutMutex_votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
CustomizeLogger(QMThread &thread)votca::xtp::ParallelXJobCalc< std::vector< Job > >virtual
do_dft_input_votca::xtp::EQMprivate
do_dft_parse_votca::xtp::EQMprivate
do_dft_run_votca::xtp::EQMprivate
do_esp_votca::xtp::EQMprivate
do_gwbse_votca::xtp::EQMprivate
esp_options_votca::xtp::EQMprivate
EvalJob(const Topology &top, Job &job, QMThread &opThread)votca::xtp::EQM
votca::xtp::ParallelXJobCalc< std::vector< Job > >::EvalJob(const Topology &top, Job &job, QMThread &thread)=0votca::xtp::ParallelXJobCalc< std::vector< Job > >pure virtual
Evaluate(const Topology &top) finalvotca::xtp::ParallelXJobCalc< std::vector< Job > >virtual
EvaluateFrame(const Topology &top)votca::xtp::JobCalculatorinline
gwbse_options_votca::xtp::EQMprivate
Identify() constvotca::xtp::EQMinlinevirtual
Initialize(const tools::Property &opt) finalvotca::xtp::JobCalculatorinlinevirtual
Job typedefvotca::xtp::ParallelXJobCalc< std::vector< Job > >
JobCalculator()=defaultvotca::xtp::JobCalculator
jobfile_votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
LockCout()votca::xtp::ParallelXJobCalc< std::vector< Job > >inline
LockLog()votca::xtp::ParallelXJobCalc< std::vector< Job > >inline
logMutex_votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
mapfile_votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
maverick_votca::tools::Calculatorprotected
nThreads_votca::tools::Calculatorprotected
openmp_threads_votca::xtp::JobCalculatorprotected
Package() const finalvotca::xtp::JobCalculatorinlinevirtual
package_options_votca::xtp::EQMprivate
ParallelXJobCalc()=defaultvotca::xtp::ParallelXJobCalc< std::vector< Job > >
ParseCommonOptions(const tools::Property &options)votca::xtp::ParallelXJobCalc< std::vector< Job > >private
ParseOptions(const tools::Property &opt) finalvotca::xtp::ParallelXJobCalc< std::vector< Job > >inlinevirtual
ParseSpecificOptions(const tools::Property &user_options)votca::xtp::EQMprotectedvirtual
progObs_votca::xtp::JobCalculatorprotected
ReadJobFile(Topology &)votca::xtp::EQMinlinevirtual
Result typedefvotca::xtp::ParallelXJobCalc< std::vector< Job > >
SetJobToFailed(Job::JobResult &jres, Logger &pLog, const std::string &errormessage)votca::xtp::EQMprivate
setnThreads(Index nThreads)votca::tools::Calculatorinline
setOpenMPThreads(Index ompthreads)votca::xtp::JobCalculatorinline
setProgObserver(ProgObserver< std::vector< Job > > *obs)votca::xtp::JobCalculatorinline
UnlockCout()votca::xtp::ParallelXJobCalc< std::vector< Job > >inline
UnlockLog()votca::xtp::ParallelXJobCalc< std::vector< Job > >inline
UpdateDFTOptions(const tools::Property &options)votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
UpdateGWBSEOptions(const tools::Property &options)votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
WriteJobFile(const Topology &top)votca::xtp::EQMvirtual
WriteLoggerToFile(const std::string &logfile, Logger &logger)votca::xtp::EQMprivate
XJobs_votca::xtp::ParallelXJobCalc< std::vector< Job > >protected
~Calculator()=defaultvotca::tools::Calculatorvirtual
~JobCalculator() override=defaultvotca::xtp::JobCalculator
~ParallelXJobCalc() override=defaultvotca::xtp::ParallelXJobCalc< std::vector< Job > >