Psi4
Public Member Functions | List of all members
psi::FT97_CFunctional Class Reference

#include <FT97_Cfunctional.h>

Inheritance diagram for psi::FT97_CFunctional:
psi::Functional

Public Member Functions

 FT97_CFunctional ()
 
virtual ~FT97_CFunctional ()
 
virtual void compute_functional (const std::map< std::string, SharedVector > &in, const std::map< std::string, SharedVector > &out, int npoints, int deriv, double alpha)
 
- Public Member Functions inherited from psi::Functional
 Functional ()
 
virtual ~Functional ()
 
const std::map< std::string,
double > & 
parameters ()
 
virtual void set_parameter (const std::string &key, double val)
 
void set_gga (bool gga)
 
void set_meta (bool meta)
 
void set_alpha (double alpha)
 
void set_omega (double omega)
 
void set_name (const std::string &name)
 
void set_description (const std::string &description)
 
void set_citation (const std::string &citation)
 
void set_lsda_cutoff (double cut)
 
void set_meta_cutoff (double cut)
 
std::string name () const
 
std::string description () const
 
std::string citation () const
 
bool is_meta () const
 
bool is_gga () const
 
bool is_lrc () const
 
double alpha () const
 
double omega () const
 
double lsda_cutoff () const
 
double meta_cutoff () const
 
virtual void print (std::string OutFileRMR="outfile", int print=1) const
 
void py_print () const
 
void py_print_detail (int level) const
 

Additional Inherited Members

- Static Public Member Functions inherited from psi::Functional
static std::shared_ptr
< Functional
build_base (const std::string &alias)
 
- Protected Member Functions inherited from psi::Functional
void common_init ()
 
- Protected Attributes inherited from psi::Functional
double alpha_
 
double omega_
 
std::string name_
 
std::string description_
 
std::string citation_
 
bool gga_
 
bool meta_
 
bool lrc_
 
std::map< std::string, double > parameters_
 
double lsda_cutoff_
 
double meta_cutoff_
 

Detailed Description

FT97_C MATLAB Autogenerated functional

Constructor & Destructor Documentation

psi::FT97_CFunctional::FT97_CFunctional ( )
psi::FT97_CFunctional::~FT97_CFunctional ( )
virtual

Member Function Documentation

void psi::FT97_CFunctional::compute_functional ( const std::map< std::string, SharedVector > &  in,
const std::map< std::string, SharedVector > &  out,
int  npoints,
int  deriv,
double  alpha 
)
virtual

Implements psi::Functional.


The documentation for this class was generated from the following files: