votca::xtp::QMRegion Member List

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

AddNucleiFields(std::vector< PolarSegment > &segments, const StaticSegment &seg) const	votca::xtp::QMRegion	private
AddResults(tools::Property &prop) const	votca::xtp::Region
AppendResult(tools::Property &prop) const override	votca::xtp::QMRegion	protectedvirtual
AppendScreenedSiteEnergies(tools::Property &prop) const	votca::xtp::QMRegion
ApplyInfluenceOfOtherRegions(std::vector< std::unique_ptr< Region > > &regions)	votca::xtp::Region	protected
ApplyQMFieldToPolarSegments(std::vector< PolarSegment > &segments) const	votca::xtp::QMRegion
BuildScreeningEnvironment(const std::vector< std::unique_ptr< Region > > &regions) const	votca::xtp::QMRegion	private
charge() const override	votca::xtp::QMRegion	virtual
CheckScreeningEnvironment(const std::vector< std::unique_ptr< Region > > &regions) const	votca::xtp::QMRegion
Converged() const override	votca::xtp::QMRegion	virtual
copyEwaldGrid()	votca::xtp::QMRegion
DeltaD_	votca::xtp::QMRegion	private
DeltaDmax_	votca::xtp::QMRegion	private
DeltaE_	votca::xtp::QMRegion	private
dftoptions_	votca::xtp::QMRegion	private
Dmat_hist_	votca::xtp::QMRegion	private
do_dft_in_dft_	votca::xtp::QMRegion	private
do_gwbse_	votca::xtp::QMRegion	private
do_localize_	votca::xtp::QMRegion	private
E_hist_	votca::xtp::QMRegion	private
EnvironmentScreeningEnabled() const	votca::xtp::QMRegion	inline
ErrorMsg() const	votca::xtp::Region	inline
errormsg_	votca::xtp::Region	protected
Etotal() const override	votca::xtp::QMRegion	inlinevirtual
Evaluate(std::vector< std::unique_ptr< Region > > &regions) override	votca::xtp::QMRegion	virtual
EvaluateScreenedGWBSE(std::vector< std::unique_ptr< Region > > &regions)	votca::xtp::QMRegion
ewald_grid_ready_	votca::xtp::QMRegion	private
ewald_nuclear_energy_	votca::xtp::QMRegion	private
ewald_potential_evaluated_	votca::xtp::QMRegion	private
ewaldgrid_	votca::xtp::QMRegion	private
getId() const	votca::xtp::Region	inline
grid_accuracy_for_ext_interaction_	votca::xtp::QMRegion	private
gwbseoptions_	votca::xtp::QMRegion	private
id_	votca::xtp::Region	protected
identify() const override	votca::xtp::QMRegion	inlinevirtual
info_	votca::xtp::Region	protected
Initialize(const tools::Property &prop) override	votca::xtp::QMRegion	virtual
initstate_	votca::xtp::QMRegion	private
InteractwithEwaldRegion(const EwaldRegion &region) override	votca::xtp::QMRegion	protectedvirtual
InteractwithPolarRegion(const PolarRegion &region) override	votca::xtp::QMRegion	protectedvirtual
InteractwithQMRegion(const QMRegion &region) override	votca::xtp::QMRegion	protectedvirtual
InteractwithStaticRegion(const StaticRegion &region) override	votca::xtp::QMRegion	protectedvirtual
localize_options_	votca::xtp::QMRegion	private
log_	votca::xtp::Region	protected
orb_	votca::xtp::QMRegion	private
overlap_sqrt_	votca::xtp::QMRegion	private
PrepareEwaldPotentialGrid()	votca::xtp::QMRegion
PrepareOrbitalsForGWBSE()	votca::xtp::QMRegion	private
push_back(const QMMolecule &mol)	votca::xtp::QMRegion
qmpackage_	votca::xtp::QMRegion	private
QMRegion(Index id, Logger &log, std::string workdir)	votca::xtp::QMRegion	inline
ReadFromCpt(CheckpointReader &r) override	votca::xtp::QMRegion	virtual
Region(Index id, Logger &log)	votca::xtp::Region	inline
Reset() override	votca::xtp::QMRegion	virtual
screened_done_	votca::xtp::QMRegion	private
screened_state_	votca::xtp::QMRegion	private
screening_	votca::xtp::QMRegion	private
screening_include_kreac_	votca::xtp::QMRegion	private
screening_shell_dielectric_	votca::xtp::QMRegion	private
screening_shell_regions_	votca::xtp::QMRegion	private
screening_site_width_	votca::xtp::QMRegion	private
ScreeningAuxBasisName() const	votca::xtp::QMRegion	private
setup_cache_	votca::xtp::QMRegion	private
size() const override	votca::xtp::QMRegion	inlinevirtual
size_	votca::xtp::QMRegion	private
StateEnergy(const QMState &state) const	votca::xtp::QMRegion	private
statetracker_	votca::xtp::QMRegion	private
Successful() const	votca::xtp::Region	inline
UpdateOverlapSqrt()	votca::xtp::QMRegion	private
workdir_	votca::xtp::QMRegion	private
WritePDB(csg::PDBWriter &writer) const override	votca::xtp::QMRegion	virtual
WriteToCpt(CheckpointWriter &w) const override	votca::xtp::QMRegion	virtual
~QMRegion() override=default	votca::xtp::QMRegion
~Region()=default	votca::xtp::Region	virtual