votca 2024.2-dev
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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) constvotca::xtp::QMRegionprivate
AddResults(tools::Property &prop) constvotca::xtp::Region
AppendResult(tools::Property &prop) const overridevotca::xtp::QMRegionprotectedvirtual
ApplyInfluenceOfOtherRegions(std::vector< std::unique_ptr< Region > > &regions)votca::xtp::Regionprotected
ApplyQMFieldToPolarSegments(std::vector< PolarSegment > &segments) constvotca::xtp::QMRegion
charge() const overridevotca::xtp::QMRegionvirtual
Converged() const overridevotca::xtp::QMRegionvirtual
DeltaD_votca::xtp::QMRegionprivate
DeltaDmax_votca::xtp::QMRegionprivate
DeltaE_votca::xtp::QMRegionprivate
dftoptions_votca::xtp::QMRegionprivate
Dmat_hist_votca::xtp::QMRegionprivate
do_dft_in_dft_votca::xtp::QMRegionprivate
do_gwbse_votca::xtp::QMRegionprivate
do_localize_votca::xtp::QMRegionprivate
E_hist_votca::xtp::QMRegionprivate
ErrorMsg() constvotca::xtp::Regioninline
errormsg_votca::xtp::Regionprotected
Etotal() const overridevotca::xtp::QMRegioninlinevirtual
Evaluate(std::vector< std::unique_ptr< Region > > &regions) overridevotca::xtp::QMRegionvirtual
getId() constvotca::xtp::Regioninline
grid_accuracy_for_ext_interaction_votca::xtp::QMRegionprivate
gwbseoptions_votca::xtp::QMRegionprivate
id_votca::xtp::Regionprotected
identify() const overridevotca::xtp::QMRegioninlinevirtual
info_votca::xtp::Regionprotected
Initialize(const tools::Property &prop) overridevotca::xtp::QMRegionvirtual
initstate_votca::xtp::QMRegionprivate
InteractwithPolarRegion(const PolarRegion &region) overridevotca::xtp::QMRegionprotectedvirtual
InteractwithQMRegion(const QMRegion &region) overridevotca::xtp::QMRegionprotectedvirtual
InteractwithStaticRegion(const StaticRegion &region) overridevotca::xtp::QMRegionprotectedvirtual
localize_options_votca::xtp::QMRegionprivate
log_votca::xtp::Regionprotected
orb_votca::xtp::QMRegionprivate
push_back(const QMMolecule &mol)votca::xtp::QMRegion
qmpackage_votca::xtp::QMRegionprivate
QMRegion(Index id, Logger &log, std::string workdir)votca::xtp::QMRegioninline
ReadFromCpt(CheckpointReader &r) overridevotca::xtp::QMRegionvirtual
Region(Index id, Logger &log)votca::xtp::Regioninline
Reset() overridevotca::xtp::QMRegionvirtual
size() const overridevotca::xtp::QMRegioninlinevirtual
size_votca::xtp::QMRegionprivate
statetracker_votca::xtp::QMRegionprivate
Successful() constvotca::xtp::Regioninline
workdir_votca::xtp::QMRegionprivate
WritePDB(csg::PDBWriter &writer) const overridevotca::xtp::QMRegionvirtual
WriteToCpt(CheckpointWriter &w) const overridevotca::xtp::QMRegionvirtual
~QMRegion() override=defaultvotca::xtp::QMRegion
~Region()=defaultvotca::xtp::Regionvirtual
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