projectors::print Namespace Reference

Functions
void	print_orb_chg (const UnitCell *ucell, const std::vector< std::complex< double > > &occs, const std::vector< int > &iat_nh, const std::vector< std::string > &atom_labels)
	Print orbital charge analysis.
void	print_mag_table (const std::vector< std::string > &atom_labels, const std::vector< double > &mag_x, const std::vector< double > &mag_y, const std::vector< double > &mag_z)
	Print magnetism table.
void	print_proj_status (int it, int nproj_it)
	Print projector initialization status.

Function Documentation

print_mag_table()

void projectors::print::print_mag_table	(	const std::vector< std::string > &	atom_labels,
		const std::vector< double > &	mag_x,
		const std::vector< double > &	mag_y,
		const std::vector< double > &	mag_z
	)

Print magnetism table.

Parameters

atom_labels	Atom labels
mag_x	Magnetic moment in x direction
mag_y	Magnetic moment in y direction
mag_z	Magnetic moment in z direction

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print_orb_chg()

void projectors::print::print_orb_chg	(	const UnitCell *	ucell,
		const std::vector< std::complex< double > > &	occs,
		const std::vector< int > &	iat_nh,
		const std::vector< std::string > &	atom_labels
	)

Print orbital charge analysis.

Parameters

ucell	Unit cell pointer
occs	Occupation numbers
iat_nh	Number of projectors per atom
atom_labels	Atom labels

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print_proj_status()

void projectors::print::print_proj_status	(	int	it,
		int	nproj_it
	)

Print projector initialization status.

Parameters

it	Atom type index
nproj_it	Number of projectors for this type