| addLinkers(std::vector< const Segment * > &segments, const Topology &top) | votca::xtp::IQM | private |
| bsecoupling_options_ | votca::xtp::IQM | private |
| Calculator()=default | votca::tools::Calculator | |
| coutMutex_ | votca::xtp::ParallelXJobCalc< std::vector< Job > > | protected |
| CustomizeLogger(QMThread &thread) | votca::xtp::ParallelXJobCalc< std::vector< Job > > | virtual |
| dftcoupling_options_ | votca::xtp::IQM | private |
| dftpackage_options_ | votca::xtp::IQM | private |
| do_bsecoupling_ | votca::xtp::IQM | private |
| do_dft_input_ | votca::xtp::IQM | private |
| do_dft_parse_ | votca::xtp::IQM | private |
| do_dft_run_ | votca::xtp::IQM | private |
| do_dftcoupling_ | votca::xtp::IQM | private |
| do_gwbse_ | votca::xtp::IQM | private |
| electron_levels_ | votca::xtp::IQM | private |
| EvalJob(const Topology &top, Job &job, QMThread &opThread) | votca::xtp::IQM | |
| votca::xtp::ParallelXJobCalc< std::vector< Job > >::EvalJob(const Topology &top, Job &job, QMThread &thread)=0 | votca::xtp::ParallelXJobCalc< std::vector< Job > > | pure virtual |
| Evaluate(const Topology &top) final | votca::xtp::ParallelXJobCalc< std::vector< Job > > | virtual |
| EvaluateFrame(const Topology &top) | votca::xtp::JobCalculator | inline |
| FillParseMaps(const std::string &Mapstring) | votca::xtp::IQM | private |
| GetBSECouplingFromProp(const tools::Property &bseprop, const QMState &stateA, const QMState &stateB) | votca::xtp::IQM | private |
| GetDFTCouplingFromProp(const tools::Property &dftprop, Index stateA, Index stateB) | votca::xtp::IQM | private |
| GetElementFromMap(const std::map< std::string, QMState > &elementmap, const std::string &elementname) const | votca::xtp::IQM | private |
| gwbse_options_ | votca::xtp::IQM | private |
| hole_levels_ | votca::xtp::IQM | private |
| Identify() const | votca::xtp::IQM | inlinevirtual |
| Initialize(const tools::Property &opt) final | votca::xtp::JobCalculator | inlinevirtual |
| isLinker(const std::string &name) | votca::xtp::IQM | private |
| Job typedef | votca::xtp::ParallelXJobCalc< std::vector< Job > > | |
| JobCalculator()=default | votca::xtp::JobCalculator | |
| jobfile_ | votca::xtp::ParallelXJobCalc< std::vector< Job > > | protected |
| linkers_ | votca::xtp::IQM | private |
| 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::Calculator | protected |
| nThreads_ | votca::tools::Calculator | protected |
| openmp_threads_ | votca::xtp::JobCalculator | protected |
| Package() const final | votca::xtp::JobCalculator | inlinevirtual |
| ParallelXJobCalc()=default | votca::xtp::ParallelXJobCalc< std::vector< Job > > | |
| ParseCommonOptions(const tools::Property &options) | votca::xtp::ParallelXJobCalc< std::vector< Job > > | private |
| ParseOptions(const tools::Property &opt) final | votca::xtp::ParallelXJobCalc< std::vector< Job > > | inlinevirtual |
| ParseSpecificOptions(const tools::Property &user_options) | votca::xtp::IQM | protectedvirtual |
| progObs_ | votca::xtp::JobCalculator | protected |
| ReadJobFile(Topology &top) | votca::xtp::IQM | virtual |
| Result typedef | votca::xtp::ParallelXJobCalc< std::vector< Job > > | |
| SetJobToFailed(Job::JobResult &jres, Logger &pLog, const std::string &errormessage) | votca::xtp::IQM | private |
| setnThreads(Index nThreads) | votca::tools::Calculator | inline |
| setOpenMPThreads(Index ompthreads) | votca::xtp::JobCalculator | inline |
| setProgObserver(ProgObserver< std::vector< Job > > *obs) | votca::xtp::JobCalculator | inline |
| singlet_levels_ | votca::xtp::IQM | private |
| store_dft_ | votca::xtp::IQM | private |
| store_gw_ | votca::xtp::IQM | private |
| triplet_levels_ | votca::xtp::IQM | private |
| 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::IQM | virtual |
| WriteLoggerToFile(const std::string &logfile, Logger &logger) | votca::xtp::IQM | private |
| XJobs_ | votca::xtp::ParallelXJobCalc< std::vector< Job > > | protected |
| ~Calculator()=default | votca::tools::Calculator | virtual |
| ~JobCalculator() override=default | votca::xtp::JobCalculator | |
| ~ParallelXJobCalc() override=default | votca::xtp::ParallelXJobCalc< std::vector< Job > > | |
1.12.0