votca::xtp::QMMM Member List

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

Calculator()=default	votca::tools::Calculator
coutMutex_	votca::xtp::ParallelXJobCalc< std::vector< Job > >	protected
createJob(const Segment &seg, const QMState &state, Index jobid) const	votca::xtp::QMMM	private
CustomizeLogger(QMThread &thread)	votca::xtp::ParallelXJobCalc< std::vector< Job > >	virtual
EvalJob(const Topology &top, Job &job, QMThread &Thread)	votca::xtp::QMMM
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
getFirstRegionName() const	votca::xtp::QMMM	private
hasQMRegion() const	votca::xtp::QMMM	private
Identify() const	votca::xtp::QMMM	inlinevirtual
Initialize(const tools::Property &opt) final	votca::xtp::JobCalculator	inlinevirtual
Job typedef	votca::xtp::ParallelXJobCalc< std::vector< Job > >
JobCalculator()=default	votca::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::Calculator	protected
max_iterations_	votca::xtp::QMMM	private
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::QMMM	protectedvirtual
print_regions_pdb_	votca::xtp::QMMM	private
progObs_	votca::xtp::JobCalculator	protected
ReadJobFile(Topology &top)	votca::xtp::QMMM	virtual
regions_def_	votca::xtp::QMMM	private
Result typedef	votca::xtp::ParallelXJobCalc< std::vector< Job > >
setnThreads(Index nThreads)	votca::tools::Calculator	inline
setOpenMPThreads(Index ompthreads)	votca::xtp::JobCalculator	inline
setProgObserver(ProgObserver< std::vector< Job > > *obs)	votca::xtp::JobCalculator	inline
states_	votca::xtp::QMMM	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
use_gs_for_ex_	votca::xtp::QMMM	private
which_segments_	votca::xtp::QMMM	private
WriteJobFile(const Topology &top)	votca::xtp::QMMM	virtual
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 > >