MADNESS
0.10.1
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#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) |
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inline |
References axis, make_dft_energy(), make_dft_potential(), madness::reconstruct(), madness::refine_to_common_level(), madness::Function< T, NDIM >::scale(), and xc.
Referenced by MiniDFT::doit().
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inline |
References xc.
Referenced by apply_xc().
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inline |
References xc.
Referenced by apply_xc().