#include <dft.h>
Inheritance diagram for madness::XCFunctionalLDA< T, NDIM >:
Collaboration diagram for madness::XCFunctionalLDA< T, NDIM >:
Public Member Functions | |
| XCFunctionalLDA (World &world, 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. | |
 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. | |
Private Types | |
| typedef Function< T, NDIM > | funcT |
Additional Inherited Members | |
| Public Attributes inherited from madness::EigSolverOp< T, NDIM > | |
| World & | _world |
| Protected Member Functions inherited from madness::EigSolverOp< T, NDIM > | |
| void | messageME (std::string messageME) |
| double | thresh () |
Member Typedef Documentation
◆ funcT
template<typename T , int NDIM>
|
private |
Constructor & Destructor Documentation
◆ XCFunctionalLDA()
template<typename T , int NDIM>
| madness::XCFunctionalLDA< T, NDIM >::XCFunctionalLDA | ( | World & | world, |
| double | coeff, | ||
| double | thresh | ||
| ) |
References madness::EigSolverOp< T, NDIM >::messageME().
Member Function Documentation
◆ is_od()
template<typename T , int NDIM>
|
inlinevirtual |
Is there an orbitally-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
◆ is_rd()
template<typename T , int NDIM>
|
inlinevirtual |
Is there a density-dependent term?
Implements madness::EigSolverOp< T, NDIM >.
◆ op_r()
template<typename T , int NDIM>
|
virtual |
Density-dependent portion of operator.
Reimplemented from madness::EigSolverOp< T, NDIM >.
References madness::copy(), psi(), madness::Function< T, NDIM >::scale(), and madness::Function< T, NDIM >::unaryop().
The documentation for this class was generated from the following files:
