votca
2026-dev
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votca::xtp::EwaldRegion Member List
This is the complete list of members for
votca::xtp::EwaldRegion
, including all inherited members.
AddResults
(tools::Property &prop) const
votca::xtp::Region
AppendResult
(tools::Property &prop) const override
votca::xtp::EwaldRegion
protected
virtual
ApplyFieldTo
(std::vector< PolarSegment > &foreground) const
votca::xtp::EwaldRegion
ApplyInfluenceOfOtherRegions
(std::vector< std::unique_ptr< Region > > ®ions)
votca::xtp::Region
protected
BuildSums
(const std::vector< PolarSegment > &fallback) const
votca::xtp::EwaldRegion
private
built_foreground_
votca::xtp::EwaldRegion
mutable
private
charge
() const override
votca::xtp::EwaldRegion
virtual
CheckForegroundIsSubset
(const std::vector< PolarSegment > &foreground) const
votca::xtp::EwaldRegion
private
checkpoint_file_
votca::xtp::EwaldRegion
private
Converged
() const override
votca::xtp::EwaldRegion
inline
virtual
ErrorMsg
() const
votca::xtp::Region
inline
errormsg_
votca::xtp::Region
protected
Etotal
() const override
votca::xtp::EwaldRegion
virtual
Evaluate
(std::vector< std::unique_ptr< Region > > ®ions) override
votca::xtp::EwaldRegion
virtual
EwaldRegion
(Index id, Logger &log)
votca::xtp::EwaldRegion
inline
foreground_copies_
votca::xtp::EwaldRegion
mutable
private
getId
() const
votca::xtp::Region
inline
id_
votca::xtp::Region
protected
identify
() const override
votca::xtp::EwaldRegion
inline
virtual
info_
votca::xtp::Region
protected
Initialize
(const tools::Property &prop) override
votca::xtp::EwaldRegion
virtual
interactor_
votca::xtp::EwaldRegion
mutable
private
InteractwithEwaldRegion
(const EwaldRegion &) override
votca::xtp::EwaldRegion
inline
protected
virtual
InteractwithPolarRegion
(const PolarRegion &) override
votca::xtp::EwaldRegion
inline
protected
virtual
InteractwithQMRegion
(const QMRegion &) override
votca::xtp::EwaldRegion
inline
protected
virtual
InteractwithStaticRegion
(const StaticRegion &) override
votca::xtp::EwaldRegion
inline
protected
virtual
loaded_
votca::xtp::EwaldRegion
private
log_
votca::xtp::Region
protected
Parameters
() const
votca::xtp::EwaldRegion
inline
params_
votca::xtp::EwaldRegion
private
PotentialAt
(const std::vector< Eigen::Vector3d > &points) const
votca::xtp::EwaldRegion
ReadFromCpt
(CheckpointReader &r) override
votca::xtp::EwaldRegion
virtual
real_sum_
votca::xtp::EwaldRegion
mutable
private
recip_sum_
votca::xtp::EwaldRegion
mutable
private
Region
(Index id, Logger &log)
votca::xtp::Region
inline
registered_foreground_
votca::xtp::EwaldRegion
private
RegisterForeground
(const std::vector< std::pair< Index, Eigen::Vector3d > > &foreground)
votca::xtp::EwaldRegion
Registry
() const
votca::xtp::EwaldRegion
inline
registry_
votca::xtp::EwaldRegion
private
Reset
() override
votca::xtp::EwaldRegion
inline
virtual
shape_
votca::xtp::EwaldRegion
mutable
private
size
() const override
votca::xtp::EwaldRegion
virtual
Successful
() const
votca::xtp::Region
inline
warned_no_energy_
votca::xtp::EwaldRegion
mutable
private
WritePDB
(csg::PDBWriter &writer) const override
votca::xtp::EwaldRegion
virtual
WriteToCpt
(CheckpointWriter &w) const override
votca::xtp::EwaldRegion
virtual
~EwaldRegion
() override=default
votca::xtp::EwaldRegion
~Region
()=default
votca::xtp::Region
virtual
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