votca 2026-dev
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votca::xtp::EwaldRealSpaceSum Member List

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

AddFieldAt(Index target_segment_id, PolarSite &target, EwaldChargeState source_state, bool include_static=true) constvotca::xtp::EwaldRealSpaceSum
AddFieldAtMany(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool include_static=true) constvotca::xtp::EwaldRealSpaceSum
ApplyNeighborList(const NeighborList &list, PolarSite &target, bool include_static) constvotca::xtp::EwaldRealSpaceSumprivate
box_votca::xtp::EwaldRealSpaceSumprivate
cached_entries_votca::xtp::EwaldRealSpaceSummutableprivate
cached_targets_votca::xtp::EwaldRealSpaceSummutableprivate
CalcInducedSourceEnergyAt(const PolarSite &target, EwaldChargeState source_state) constvotca::xtp::EwaldRealSpaceSum
CalcStaticEnergyAt(const PolarSite &target, EwaldChargeState source_state) constvotca::xtp::EwaldRealSpaceSum
culled_entries_votca::xtp::EwaldRealSpaceSummutableprivate
EwaldRealSpaceSum(const Eigen::Matrix3d &box, const EwaldRegistry &registry, double alpha, double thole_a, double r_min, double field_tol, double shell_width=0.945, Index n_max=15, double screening_factor=6.0, const std::vector< std::pair< Index, Eigen::Vector3d > > &foreground={})votca::xtp::EwaldRealSpaceSum
field_tol_votca::xtp::EwaldRealSpaceSumprivate
foreground_votca::xtp::EwaldRealSpaceSumprivate
foreground_entries_votca::xtp::EwaldRealSpaceSummutableprivate
GenerateSortedTranslations() constvotca::xtp::EwaldRealSpaceSumprivate
GetNeighborStats() constvotca::xtp::EwaldRealSpaceSuminline
InsertNeighborList(const std::pair< const PolarSite *, EwaldChargeState > &key, NeighborList list, const SearchCounts &counts) constvotca::xtp::EwaldRealSpaceSumprivate
interactor_votca::xtp::EwaldRealSpaceSumprivate
kForegroundMatchTolvotca::xtp::EwaldRealSpaceSumprivatestatic
kSelfTranslationTolvotca::xtp::EwaldRealSpaceSumprivatestatic
n_max_votca::xtp::EwaldRealSpaceSumprivate
neighbor_cache_votca::xtp::EwaldRealSpaceSummutableprivate
NeighborList typedefvotca::xtp::EwaldRealSpaceSumprivate
PotentialAtMany(Index target_segment_id, const std::vector< Eigen::Vector3d > &points, EwaldChargeState source_state) constvotca::xtp::EwaldRealSpaceSum
PrepareNeighborCache(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool converge_static_field=false) constvotca::xtp::EwaldRealSpaceSum
PrepareNeighborCacheImpl(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool include_static) constvotca::xtp::EwaldRealSpaceSumprivate
r_min_votca::xtp::EwaldRealSpaceSumprivate
real_space_cutoff_votca::xtp::EwaldRealSpaceSumprivate
RealSpaceCutoff() constvotca::xtp::EwaldRealSpaceSuminline
registry_votca::xtp::EwaldRealSpaceSumprivate
SearchNeighbors(Index target_segment_id, PolarSite &scratch, EwaldChargeState source_state, bool include_static, SearchCounts &counts) constvotca::xtp::EwaldRealSpaceSumprivate
segment_radius_votca::xtp::EwaldRealSpaceSumprivate
shell_width_votca::xtp::EwaldRealSpaceSumprivate
translations_votca::xtp::EwaldRealSpaceSumprivate