MADNESS 0.10.1
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#include <dft.h>
Public Member Functions | |
DFTCoulombPeriodicOp (World &world, funcT rhon, double coeff, double thresh) | |
virtual bool | is_od () |
Is there an orbitally-dependent term? | |
virtual bool | is_rd () |
Is there a density-dependent term? | |
virtual funcT | op_r (const funcT &rho, const funcT &psi) |
Density-dependent portion of operator. | |
virtual void | prepare_op (Function< double, NDIM > rho) |
Public Member Functions inherited from madness::EigSolverOp< T, NDIM > | |
EigSolverOp (World &world, double coeff, double thresh) | |
virtual | ~EigSolverOp () |
double | coeff () |
std::string | messsageME () |
virtual std::vector< funcT > | multi_op_o (const std::vector< funcT > &phis) |
Orbital-dependent portion of operator. | |
virtual std::vector< funcT > | multi_op_r (const funcT &rho, const std::vector< funcT > &phis) |
Density-dependent portion of operator. | |
virtual funcT | op_o (const std::vector< funcT > &phis, const funcT &psi) |
Orbital-dependent portion of operator. | |
virtual void | prepare_op (funcT rho) |
Build the potential from a density if a density-dependent operator. | |
Public Attributes | |
SeparatedConvolution< T, NDIM > * | _cop |
Public Attributes inherited from madness::EigSolverOp< T, NDIM > | |
World & | _world |
Private Types | |
typedef Function< T, NDIM > | funcT |
Private Attributes | |
funcT | _rhon |
bool | _spinpol |
funcT | _Vc |
Additional Inherited Members | |
Protected Member Functions inherited from madness::EigSolverOp< T, NDIM > | |
void | messageME (std::string messageME) |
double | thresh () |
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private |
madness::DFTCoulombPeriodicOp< T, NDIM >::DFTCoulombPeriodicOp | ( | World & | world, |
funcT | rhon, | ||
double | coeff, | ||
double | thresh | ||
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References madness::DFTCoulombPeriodicOp< T, NDIM >::_cop, madness::DFTCoulombPeriodicOp< T, NDIM >::_rhon, madness::DFTCoulombPeriodicOp< T, NDIM >::_spinpol, e(), madness::FunctionDefaults< NDIM >::get_cell_width(), L, madness::EigSolverOp< T, NDIM >::messageME(), and madness::EigSolverOp< T, NDIM >::thresh().
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inlinevirtual |
Is there an orbitally-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
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inlinevirtual |
Is there a density-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
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virtual |
Density-dependent portion of operator.
Reimplemented from madness::EigSolverOp< T, NDIM >.
References psi().
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virtual |
References madness::apply().
SeparatedConvolution<T,NDIM>* madness::DFTCoulombPeriodicOp< T, NDIM >::_cop |
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private |
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private |
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private |