#include "fcwf.h"

Include dependency graph for fcwf.cc:

Functions
Fcwf	apply (World &world, complex_derivative_3d &D, const Fcwf &psi)

Fcwf	apply (World &world, real_convolution_3d &op, const Fcwf &psi)

Fcwf	copy (Fcwf psi)

std::complex< double >	inner (const Fcwf &psi, const Fcwf &phi)

std::complex< double >	inner (std::vector< Fcwf > &a, std::vector< Fcwf > &b)

complex_function_3d	inner_func (World &world, Fcwf &psi, Fcwf &phi)

Tensor< std::complex< double > >	matrix_inner (World &world, std::vector< Fcwf > &a, std::vector< Fcwf > &b)

std::vector< Fcwf >	operator* (const std::vector< Fcwf > &psis, std::complex< double > a)

std::vector< Fcwf >	operator* (std::complex< double > a, const std::vector< Fcwf > &psis)

void	operator+= (std::vector< Fcwf > &phi, const std::vector< Fcwf > &psi)

std::vector< Fcwf >	operator- (const std::vector< Fcwf > &phi, const std::vector< Fcwf > &psi)

real_function_3d	squaremod (Fcwf &psi)

real_function_3d	squaremod_large (Fcwf &psi)

real_function_3d	squaremod_small (Fcwf &psi)

std::vector< Fcwf >	transform (World &world, std::vector< Fcwf > &a, Tensor< std::complex< double > > U)

Function Documentation

◆ apply() [1/2]

Fcwf apply	(	World &	world,
		complex_derivative_3d &	D,
		const Fcwf &	psi
	)

References Fcwf::apply(), copy(), and psi().

◆ apply() [2/2]

Fcwf apply	(	World &	world,
		real_convolution_3d &	op,
		const Fcwf &	psi
	)

References Fcwf::apply(), copy(), op(), and psi().

Referenced by kinetic_energy_matrix(), kinetic_energy_matrix2(), kinetic_energy_matrix_slow(), and main().

◆ copy()

Fcwf copy ( Fcwf psi )

References psi().

Referenced by Fcwf::Fcwf(), apply(), apply(), dft_xc_lda_ene(), dft_xc_lda_V(), inner_func(), Fcwf::operator+(), Fcwf::operator+=(), Fcwf::operator-(), Fcwf::operator-=(), F::operator=(), slymer::NWChem_Interface::read_movecs(), and AtomicBasis::set_guess_info().

◆ inner() [1/2]

std::complex< double > inner	(	const Fcwf &	psi,
		const Fcwf &	phi
	)

References Fcwf::getinitialize(), MADNESS_ASSERT, and psi().

Referenced by inner(), and kinetic_energy_matrix_slow().

◆ inner() [2/2]

std::complex< double > inner	(	std::vector< Fcwf > &	a,
		std::vector< Fcwf > &	b
	)

References a, b, inner(), and MADNESS_ASSERT.

◆ inner_func()

complex_function_3d inner_func	(	World &	world,
		Fcwf &	psi,
		Fcwf &	phi
	)

References a, b, c, madness::conj(), copy(), Fcwf::getinitialize(), MADNESS_ASSERT, madness::mul(), psi(), Fcwf::scale(), and sum.

◆ matrix_inner()

Tensor< std::complex< double > > matrix_inner	(	World &	world,
		std::vector< Fcwf > &	a,
		std::vector< Fcwf > &	b
	)

References a, b, m, matrix_inner(), and madness::BaseTensor::size().

Referenced by kinetic_energy_matrix(), kinetic_energy_matrix2(), kinetic_energy_matrix_slow(), and matrix_inner().

◆ operator*() [1/2]

std::vector< Fcwf > operator*	(	const std::vector< Fcwf > &	psis,
		std::complex< double >	a
	)

References a.

◆ operator*() [2/2]

std::vector< Fcwf > operator*	(	std::complex< double >	a,
		const std::vector< Fcwf > &	psis
	)

References a.

◆ operator+=()

void operator+=	(	std::vector< Fcwf > &	phi,
		const std::vector< Fcwf > &	psi
	)

References MADNESS_ASSERT, and psi().

◆ operator-()

std::vector< Fcwf > operator-	(	const std::vector< Fcwf > &	phi,
		const std::vector< Fcwf > &	psi
	)

References MADNESS_ASSERT, and psi().

◆ squaremod()

real_function_3d squaremod ( Fcwf & psi )

References madness::abssq(), MADNESS_ASSERT, psi(), and madness::Function< T, NDIM >::scale().

Referenced by DF::diagonalize(), DF::iterate(), DF::make_density_lineplots(), and DF::solve_occupied().

◆ squaremod_large()

real_function_3d squaremod_large ( Fcwf & psi )

References madness::abssq(), MADNESS_ASSERT, and psi().

Referenced by DF::make_component_lineplots(), and DF::make_component_logplots().

◆ squaremod_small()

real_function_3d squaremod_small ( Fcwf & psi )

References madness::abssq(), MADNESS_ASSERT, psi(), and madness::scale().