#include <hartreefock.h>
Inheritance diagram for madness::HartreeFockNuclearPotentialOp< T, NDIM >:
Collaboration diagram for madness::HartreeFockNuclearPotentialOp< T, NDIM >:
Public Types | |
| typedef Function< T, NDIM > | funcT |
Public Member Functions | |
| HartreeFockNuclearPotentialOp (World &world, funcT V, double coeff, double thresh) | |
| virtual bool | is_od () |
| Is there an orbitally-dependent term? More... | |
| virtual bool | is_rd () |
| Is there a density-dependent term? More... | |
| virtual funcT | op_r (const funcT &rho, const funcT &rhon, const funcT &psi) |
 Public Member Functions inherited from madness::EigSolverOp< T, NDIM > | |
| EigSolverOp (World &world, double coeff, double thresh) | |
| virtual | ~EigSolverOp () |
| virtual void | prepare_op (funcT rho) |
| Build the potential from a density if a density-dependent operator. More... | |
| virtual funcT | op_o (const std::vector< funcT > &phis, const funcT &psi) |
| Orbital-dependent portion of operator. More... | |
| virtual funcT | op_r (const funcT &rho, const funcT &psi) |
| Density-dependent portion of operator. More... | |
| virtual std::vector< funcT > | multi_op_o (const std::vector< funcT > &phis) |
| Orbital-dependent portion of operator. More... | |
| virtual std::vector< funcT > | multi_op_r (const funcT &rho, const std::vector< funcT > &phis) |
| Density-dependent portion of operator. More... | |
| double | coeff () |
| std::string | messsageME () |
Additional Inherited Members | |
| Public Attributes inherited from madness::EigSolverOp< T, NDIM > | |
| World & | _world |
| Protected Member Functions inherited from madness::EigSolverOp< T, NDIM > | |
| double | thresh () |
| void | messageME (std::string messageME) |
Member Typedef Documentation
template<typename T , int NDIM>
| typedef Function<T,NDIM> madness::HartreeFockNuclearPotentialOp< T, NDIM >::funcT |
Constructor & Destructor Documentation
template<typename T , int NDIM>
| madness::HartreeFockNuclearPotentialOp< T, NDIM >::HartreeFockNuclearPotentialOp | ( | World & | world, |
| funcT | V, | ||
| double | coeff, | ||
| double | thresh | ||
| ) |
References madness::EigSolverOp< T, NDIM >::messageME(), and V().
Member Function Documentation
template<typename T , int NDIM>
|
inlinevirtual |
Is there an orbitally-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
template<typename T , int NDIM>
|
inlinevirtual |
Is there a density-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
template<typename T , int NDIM>
|
virtual |
References psi().
The documentation for this class was generated from the following files:
