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

References axis, D, make_dft_energy(), make_dft_potential(), madness::Function< T, NDIM >::scale(), madness::Function< T, NDIM >::truncate(), and xc.

Referenced by MiniDFT::doit().

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().

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

• wst_functional.h