MADNESS 0.10.1
Public Member Functions | List of all members
Ansatz0 Struct Reference
Inheritance diagram for Ansatz0:
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Collaboration diagram for Ansatz0:
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Public Member Functions

 Ansatz0 (const double nuclear_charge)
 
double energy () const
 
Spinor make_bra (const Spinor &ket) const
 
Spinor make_guess (World &world) const
 
MatrixOperator make_Hd (World &world) const
 
MatrixOperator make_Hv (World &world) const
 
std::string name () const
 
MatrixOperator R (World &world) const
 
MatrixOperator Rinv (World &world) const
 
- Public Member Functions inherited from AnsatzBase
 AnsatzBase (const double Z, const double a)
 
virtual std::string filename () const
 
double get_cusp_a () const
 
virtual std::vector< Spinormake_vbra (const std::vector< Spinor > &ket) const
 
virtual double mu (const double energy) const
 
virtual void normalize (Spinor &bra, Spinor &ket) const
 
virtual void normalize (Spinor &ket) const
 
virtual void normalize (std::vector< Spinor > &bra, std::vector< Spinor > &ket) const
 
virtual void normalize (std::vector< Spinor > &ket) const
 

Additional Inherited Members

- Public Attributes inherited from AnsatzBase
double a =-1.3
 
int iansatz =0
 
double nuclear_charge =0.0
 

Constructor & Destructor Documentation

◆ Ansatz0()

Ansatz0::Ansatz0 ( const double  nuclear_charge)
inline

Member Function Documentation

◆ energy()

double Ansatz0::energy ( ) const
inline

◆ make_bra()

Spinor Ansatz0::make_bra ( const Spinor ket) const
inlinevirtual

Implements AnsatzBase.

References Spinor::components, copy(), and Spinor::world().

◆ make_guess()

Spinor Ansatz0::make_guess ( World world) const
inlinevirtual

◆ make_Hd()

MatrixOperator Ansatz0::make_Hd ( World world) const
inlinevirtual

Implements AnsatzBase.

References alpha1.

◆ make_Hv()

MatrixOperator Ansatz0::make_Hv ( World world) const
inline

◆ name()

std::string Ansatz0::name ( ) const
inlinevirtual

Implements AnsatzBase.

◆ R()

MatrixOperator Ansatz0::R ( World world) const
inlinevirtual

Reimplemented from AnsatzBase.

References make_Hdiag(), and one1().

◆ Rinv()

MatrixOperator Ansatz0::Rinv ( World world) const
inlinevirtual

Reimplemented from AnsatzBase.

References make_Hdiag(), and one1().


The documentation for this struct was generated from the following file: