votca::xtp::IQM Member List

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

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 > >