MADNESS  0.10.1
Public Member Functions | List of all members
WSTFunctional Class Reference

#include <wst_functional.h>

Public Member Functions

std::pair< real_function_3d, double > apply_xc (World &world, const XCfunctional &xc, real_function_3d &rho)
 
double make_dft_energy (World &world, const XCfunctional &xc, const vector_real_function_3d &vf, int ispin)
 
real_function_3d make_dft_potential (World &world, const XCfunctional &xc, const vector_real_function_3d &vf, int ispin, int what)
 

Member Function Documentation

◆ apply_xc()

std::pair<real_function_3d, double> WSTFunctional::apply_xc ( World &  world,
const XCfunctional &  xc,
real_function_3d &  rho 
)
inline

◆ make_dft_energy()

double WSTFunctional::make_dft_energy ( World &  world,
const XCfunctional &  xc,
const vector_real_function_3d &  vf,
int  ispin 
)
inline

References xc.

Referenced by apply_xc().

◆ make_dft_potential()

real_function_3d WSTFunctional::make_dft_potential ( World &  world,
const XCfunctional &  xc,
const vector_real_function_3d &  vf,
int  ispin,
int  what 
)
inline

References xc.

Referenced by apply_xc().


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