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

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

alpha_votca::xtp::EwaldRealSpaceInteractorprivate
ApplyErfInducedFieldCorrection(const PolarSite &site1, PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
ApplyErfStaticFieldCorrection(const T &site1, PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
ApplyInducedField(const PolarSite &site1, PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
ApplyStaticField(const T &site1, PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
CalcErfInducedSourceEnergy(const PolarSite &site1, const PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
CalcErfStaticEnergy(const S1 &site1, const S2 &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
CalcInducedEnergy(const PolarSite &site1, const PolarSite &site2) constvotca::xtp::EwaldRealSpaceInteractor
CalcInducedSourceEnergy(const PolarSite &site1, const PolarSite &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero(), bool damp=true) constvotca::xtp::EwaldRealSpaceInteractor
CalcStaticEnergy(const S1 &site1, const S2 &site2, const Eigen::Vector3d &source_shift=Eigen::Vector3d::Zero()) constvotca::xtp::EwaldRealSpaceInteractor
ComputeB(double r) constvotca::xtp::EwaldRealSpaceInteractor
ComputeErfB(double r) constvotca::xtp::EwaldRealSpaceInteractor
ComputeThole(double r, const PolarSite &site1, const PolarSite &site2) constvotca::xtp::EwaldRealSpaceInteractor
ErfPotential(double q, const Eigen::Vector3d &mu, const Eigen::Vector3d &r_vec) constvotca::xtp::EwaldRealSpaceInteractor
EwaldRealSpaceInteractor(double alpha, double thole_a=0.39)votca::xtp::EwaldRealSpaceInteractorinlineexplicit
kCoincidenceTolvotca::xtp::EwaldRealSpaceInteractorprivatestatic
ScreenedPotential(double q, const Eigen::Vector3d &mu, const Eigen::Vector3d &r_vec) constvotca::xtp::EwaldRealSpaceInteractor
thole_votca::xtp::EwaldRealSpaceInteractorprivate