votca 2024.2-dev
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votca::xtp::StaticSite Member List

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

CalculateCartesianMultipole() constvotca::xtp::StaticSite
CalculateSphericalMultipole(const Eigen::Matrix3d &quad_cart)votca::xtp::StaticSitestatic
element_votca::xtp::StaticSiteprotected
getCharge() constvotca::xtp::StaticSiteinline
getDipole() constvotca::xtp::StaticSiteinlinevirtual
getElement() constvotca::xtp::StaticSiteinline
getId() constvotca::xtp::StaticSiteinline
getPos() constvotca::xtp::StaticSiteinline
getRank() constvotca::xtp::StaticSiteinline
id_votca::xtp::StaticSiteprotected
identify() constvotca::xtp::StaticSiteinlinevirtual
operator<<(std::ostream &out, const StaticSite &site)votca::xtp::StaticSitefriend
pos_votca::xtp::StaticSiteprotected
Q() constvotca::xtp::StaticSiteinline
Q_votca::xtp::StaticSiteprotected
rank_votca::xtp::StaticSiteprotected
ReadData(const data &d)votca::xtp::StaticSite
Rotate(const Eigen::Matrix3d &R, const Eigen::Vector3d &refPos)votca::xtp::StaticSitevirtual
setCharge(double q)votca::xtp::StaticSiteinline
setMultipole(const Vector9d &multipole, Index rank)votca::xtp::StaticSiteinline
setpolarization(const Eigen::Matrix3d &)votca::xtp::StaticSiteinlinevirtual
setPos(const Eigen::Vector3d &position)votca::xtp::StaticSiteinline
SetupCptTable(CptTable &table)votca::xtp::StaticSitestatic
StaticSite(Index id, std::string element, Eigen::Vector3d pos)votca::xtp::StaticSiteinline
StaticSite(Index id, std::string element)votca::xtp::StaticSiteinline
StaticSite(const data &d)votca::xtp::StaticSiteinline
StaticSite(const QMAtom &atom, double charge)votca::xtp::StaticSiteinline
StaticSite()=defaultvotca::xtp::StaticSiteprotected
Translate(const Eigen::VectorXd &shift)votca::xtp::StaticSite
WriteData(data &d) constvotca::xtp::StaticSite
WriteMpsLine(std::string unit="bohr") constvotca::xtp::StaticSite
writepolarization() constvotca::xtp::StaticSiteprotectedvirtual
~StaticSite()=defaultvotca::xtp::StaticSitevirtual