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

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

Accumulate(Moments &m, const PolarSite &site, const Eigen::Vector3d &pos)votca::xtp::EwaldShapeCorrectionprivatestatic
AddFieldAt(PolarSite &target, EwaldChargeState source_state) constvotca::xtp::EwaldShapeCorrection
BackgroundInducedMoments(EwaldChargeState source_state, const std::vector< const PolarSite * > &exclusions) constvotca::xtp::EwaldShapeCorrectionprivate
BackgroundMoments(EwaldChargeState source_state, const std::vector< const PolarSite * > &exclusions) constvotca::xtp::EwaldShapeCorrectionprivate
CalcInducedSourceEnergyBetween(const std::vector< std::pair< const PolarSite *, Eigen::Vector3d > > &foreground, const std::vector< const PolarSite * > &background_exclusions, EwaldChargeState source_state) constvotca::xtp::EwaldShapeCorrection
CalcStaticEnergyBetween(const std::vector< std::pair< const PolarSite *, Eigen::Vector3d > > &foreground, const std::vector< const PolarSite * > &background_exclusions, EwaldChargeState source_state) constvotca::xtp::EwaldShapeCorrection
EwaldShapeCorrection(double volume, const EwaldRegistry &registry, EwaldShape shape)votca::xtp::EwaldShapeCorrection
InducedShapeEnergy(const Moments &fg, const Moments &bg) constvotca::xtp::EwaldShapeCorrectionprivate
PotentialAtMany(const std::vector< Eigen::Vector3d > &points, EwaldChargeState source_state) constvotca::xtp::EwaldShapeCorrection
registry_votca::xtp::EwaldShapeCorrectionprivate
shape_votca::xtp::EwaldShapeCorrectionprivate
StaticShapeEnergy(const Moments &fg, const Moments &bg) constvotca::xtp::EwaldShapeCorrectionprivate
TotalDipoleMoment(EwaldChargeState source_state) constvotca::xtp::EwaldShapeCorrectionprivate
volume_votca::xtp::EwaldShapeCorrectionprivate