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QMCPACK
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This is the complete list of members for DFTAtom, including all inherited members.
| BarePot | DFTAtom | private |
| CalcEnergies(double &kinetic, double &potential, double &hartree, double &XC) override | DFTAtom | inlinevirtual |
| ChargeDensity | DFTAtom | private |
| ExCorr | DFTAtom | private |
| GetGrid() | Atom | inline |
| grid | Atom | protected |
| Hartree | DFTAtom | private |
| Hartree1(double r, double sum) | DFTAtom | inline |
| Hartree2(double r, double sum) | DFTAtom | inline |
| NewMix | DFTAtom | |
| NumElecs() | Atom | inline |
| OldEnergies | DFTAtom | private |
| RadialWFs | Atom | |
| Read(IOSectionClass &in) override | DFTAtom | virtual |
| rho(double r) | DFTAtom | inline |
| SetBarePot(Potential *pot) override | DFTAtom | virtual |
| SetGrid(std::shared_ptr< Grid > &newGrid) override | DFTAtom | virtual |
| Solve() override | DFTAtom | virtual |
| SolveInit() | DFTAtom | |
| SolveIter() | DFTAtom | |
| temp | DFTAtom | private |
| temp2 | DFTAtom | private |
| Type() override | DFTAtom | virtual |
| UpdateChargeDensity() | DFTAtom | private |
| UpdateExCorr() | DFTAtom | private |
| UpdateHartree() | DFTAtom | private |
| UpdateVHXC() override | DFTAtom | virtual |
| V | DFTAtom | |
| Write(IOSectionClass &out) override | DFTAtom | virtual |