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votca 2026-dev
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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) const | votca::xtp::EwaldRealSpaceSum | |
| AddFieldAtMany(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool include_static=true) const | votca::xtp::EwaldRealSpaceSum | |
| ApplyNeighborList(const NeighborList &list, PolarSite &target, bool include_static) const | votca::xtp::EwaldRealSpaceSum | private |
| box_ | votca::xtp::EwaldRealSpaceSum | private |
| cached_entries_ | votca::xtp::EwaldRealSpaceSum | mutableprivate |
| cached_targets_ | votca::xtp::EwaldRealSpaceSum | mutableprivate |
| CalcInducedSourceEnergyAt(const PolarSite &target, EwaldChargeState source_state) const | votca::xtp::EwaldRealSpaceSum | |
| CalcStaticEnergyAt(const PolarSite &target, EwaldChargeState source_state) const | votca::xtp::EwaldRealSpaceSum | |
| culled_entries_ | votca::xtp::EwaldRealSpaceSum | mutableprivate |
| EwaldRealSpaceSum(const Eigen::Matrix3d &box, const EwaldRegistry ®istry, 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::EwaldRealSpaceSum | private |
| foreground_ | votca::xtp::EwaldRealSpaceSum | private |
| foreground_entries_ | votca::xtp::EwaldRealSpaceSum | mutableprivate |
| GenerateSortedTranslations() const | votca::xtp::EwaldRealSpaceSum | private |
| GetNeighborStats() const | votca::xtp::EwaldRealSpaceSum | inline |
| InsertNeighborList(const std::pair< const PolarSite *, EwaldChargeState > &key, NeighborList list, const SearchCounts &counts) const | votca::xtp::EwaldRealSpaceSum | private |
| interactor_ | votca::xtp::EwaldRealSpaceSum | private |
| kForegroundMatchTol | votca::xtp::EwaldRealSpaceSum | privatestatic |
| kSelfTranslationTol | votca::xtp::EwaldRealSpaceSum | privatestatic |
| n_max_ | votca::xtp::EwaldRealSpaceSum | private |
| neighbor_cache_ | votca::xtp::EwaldRealSpaceSum | mutableprivate |
| NeighborList typedef | votca::xtp::EwaldRealSpaceSum | private |
| PotentialAtMany(Index target_segment_id, const std::vector< Eigen::Vector3d > &points, EwaldChargeState source_state) const | votca::xtp::EwaldRealSpaceSum | |
| PrepareNeighborCache(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool converge_static_field=false) const | votca::xtp::EwaldRealSpaceSum | |
| PrepareNeighborCacheImpl(const std::vector< std::pair< Index, PolarSite * > > &targets, EwaldChargeState source_state, bool include_static) const | votca::xtp::EwaldRealSpaceSum | private |
| r_min_ | votca::xtp::EwaldRealSpaceSum | private |
| real_space_cutoff_ | votca::xtp::EwaldRealSpaceSum | private |
| RealSpaceCutoff() const | votca::xtp::EwaldRealSpaceSum | inline |
| registry_ | votca::xtp::EwaldRealSpaceSum | private |
| SearchNeighbors(Index target_segment_id, PolarSite &scratch, EwaldChargeState source_state, bool include_static, SearchCounts &counts) const | votca::xtp::EwaldRealSpaceSum | private |
| segment_radius_ | votca::xtp::EwaldRealSpaceSum | private |
| shell_width_ | votca::xtp::EwaldRealSpaceSum | private |
| translations_ | votca::xtp::EwaldRealSpaceSum | private |