#include <dft.h>
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| DFTNuclearChargeDensityOp (World &world, funcT rhon, double coeff, double thresh, bool periodic) |
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| ~DFTNuclearChargeDensityOp () |
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virtual bool | is_od () |
| Is there an orbitally-dependent term?
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virtual bool | is_rd () |
| Is there a density-dependent term?
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virtual funcT | op_r (const funcT &rho, const funcT &psi) |
| Density-dependent portion of operator.
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void | prepare_op (Function< double, NDIM > rho) |
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| EigSolverOp (World &world, double coeff, double thresh) |
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virtual | ~EigSolverOp () |
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double | coeff () |
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std::string | messsageME () |
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virtual std::vector< funcT > | multi_op_o (const std::vector< funcT > &phis) |
| Orbital-dependent portion of operator.
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virtual std::vector< funcT > | multi_op_r (const funcT &rho, const std::vector< funcT > &phis) |
| Density-dependent portion of operator.
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virtual funcT | op_o (const std::vector< funcT > &phis, const funcT &psi) |
| Orbital-dependent portion of operator.
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virtual void | prepare_op (funcT rho) |
| Build the potential from a density if a density-dependent operator.
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◆ funcT
template<typename
T , int NDIM>
◆ DFTNuclearChargeDensityOp()
template<typename
T , int NDIM>
References madness::DFTNuclearChargeDensityOp< T, NDIM >::_rhon, madness::DFTNuclearChargeDensityOp< T, NDIM >::_Vnuc, madness::apply(), e(), madness::FunctionDefaults< NDIM >::get_cell_width(), L, madness::EigSolverOp< T, NDIM >::messageME(), and madness::EigSolverOp< T, NDIM >::thresh().
◆ ~DFTNuclearChargeDensityOp()
template<typename
T , int NDIM>
◆ is_od()
template<typename
T , int NDIM>
◆ is_rd()
template<typename
T , int NDIM>
◆ op_r()
template<typename
T , int NDIM>
◆ prepare_op()
template<typename
T , int NDIM>
◆ _rhon
template<typename
T , int NDIM>
◆ _Vnuc
template<typename
T , int NDIM>
The documentation for this class was generated from the following files: