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

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

AddFieldAt(PolarSite &target, EwaldChargeState source_state) constvotca::xtp::EwaldReciprocalSpaceSum
AddFieldAtMany(const std::vector< PolarSite * > &targets, EwaldChargeState source_state, const ProgressCallback &progress=ProgressCallback()) constvotca::xtp::EwaldReciprocalSpaceSum
alpha_votca::xtp::EwaldReciprocalSpaceSumprivate
box_votca::xtp::EwaldReciprocalSpaceSumprivate
CalcInducedSourceEnergyBetween(const std::vector< std::pair< const PolarSite *, Eigen::Vector3d > > &foreground, const std::vector< const PolarSite * > &background_exclusions, EwaldChargeState source_state) constvotca::xtp::EwaldReciprocalSpaceSum
CalcStaticEnergyBetween(const std::vector< std::pair< const PolarSite *, Eigen::Vector3d > > &foreground, const std::vector< const PolarSite * > &background_exclusions, EwaldChargeState source_state) constvotca::xtp::EwaldReciprocalSpaceSum
EwaldReciprocalSpaceSum(const Eigen::Matrix3d &box, const EwaldRegistry &registry, double alpha, double k_max)votca::xtp::EwaldReciprocalSpaceSum
GenerateKVectors() constvotca::xtp::EwaldReciprocalSpaceSumprivate
k_max_votca::xtp::EwaldReciprocalSpaceSumprivate
kvectors_votca::xtp::EwaldReciprocalSpaceSumprivate
NumKVectors() constvotca::xtp::EwaldReciprocalSpaceSuminline
PotentialAtMany(const std::vector< Eigen::Vector3d > &points, EwaldChargeState source_state, const ProgressCallback &progress=ProgressCallback()) constvotca::xtp::EwaldReciprocalSpaceSum
ProgressCallback typedefvotca::xtp::EwaldReciprocalSpaceSum
registry_votca::xtp::EwaldReciprocalSpaceSumprivate
SelfFieldMatrix() constvotca::xtp::EwaldReciprocalSpaceSum
TotalStructureFactors(EwaldChargeState source_state, const ProgressCallback &progress) constvotca::xtp::EwaldReciprocalSpaceSumprivate
volume_votca::xtp::EwaldReciprocalSpaceSumprivate