A(double r) | Potential | inlineprivatevirtual |
AtomicNumber | PseudoClass | private |
B(double r) | Potential | inlineprivatevirtual |
CalcProjector(std::string refstate, int lchannel) | PseudoClass | |
ChannelMap | PseudoClass | private |
ChannelPotentials | PseudoClass | private |
ChannelRevMap | PseudoClass | private |
d2Adr2(double r) | Potential | inlineprivatevirtual |
d2Vdr2(double r) override | PseudoClass | virtual |
d2Vdr2(int l, double r) override | PseudoClass | virtual |
dAdr(double r) | Potential | inlineprivatevirtual |
DensityMix | PseudoClass | private |
dVdr(double r) override | PseudoClass | virtual |
dVdr(int l, double r) override | PseudoClass | virtual |
EnergyUnit | PseudoClass | private |
GetCoreRadius() | Potential | inlineprivatevirtual |
GetNextState(std::string &state, int &n, int &l, double &occ) | PseudoClass | private |
GetNumChannels() | PseudoClass | |
grid_delta | PseudoClass | private |
HaveProjectors() | PseudoClass | |
IsNonlocal() | Potential | inlineprivatevirtual |
IsPH() | Potential | privatevirtual |
LengthUnit | PseudoClass | private |
LocalChannel | PseudoClass | private |
NeedsRel() | Potential | privatevirtual |
PotentialGrid | PseudoClass | private |
PseudoCharge | PseudoClass | private |
PseudoClass() | PseudoClass | inline |
Read(IOSectionClass &in) override | PseudoClass | virtual |
ReadBFD_PP(std::string fileName) | PseudoClass | |
ReadCASINO_PP(std::string fileName) | PseudoClass | |
ReadCASINO_WF(std::string fileName, int l) | PseudoClass | |
ReadFHI_PP(std::string fileName) | PseudoClass | |
ReadGAMESS_PP(std::string fileName) | PseudoClass | |
ReadUPF_PP(std::string fileName) | PseudoClass | |
Relativistic | PseudoClass | private |
RhoAtom | PseudoClass | private |
SetDensityMix(double mix) | PseudoClass | inline |
SetLocalChannel(int local) | PseudoClass | inline |
SetupMaps() | PseudoClass | private |
SymbolToZMap | PseudoClass | private |
TotalEnergy | PseudoClass | private |
UnitToBohrMap | PseudoClass | private |
UnitToHartreeMap | PseudoClass | private |
V(double r) override | PseudoClass | virtual |
V(int l, double r) override | PseudoClass | virtual |
Write(IOSectionClass &out) override | PseudoClass | virtual |
Write4Block(FILE *fout, std::vector< double > &data, int indent=2) | PseudoClass | private |
WriteABINIT(std::string fileName="") | PseudoClass | |
WriteASCII() | PseudoClass | |
WriteCASINO(std::string filename) | PseudoClass | |
WriteFHI(std::string filename) | PseudoClass | |
WriteFPMD(std::string filename) | PseudoClass | |
WriteHDF5(std::string filename) | PseudoClass | |
WriteLogGrid | PseudoClass | |
WriteUPF(std::string fileName) | PseudoClass | |
WriteXML(std::string fileName) | PseudoClass | |
X_k(double rcut, double k) | Potential | inlineprivatevirtual |
XC | PseudoClass | private |
XCMap | PseudoClass | private |
XCRevMap | PseudoClass | private |
ZToMassMap | PseudoClass | private |
ZToSymbolMap | PseudoClass | private |
~Potential()=default | Potential | privatevirtual |