Inheritance diagram for Eigenvector_Printer_SLEPc:

Collaboration diagram for Eigenvector_Printer_SLEPc:

Public Member Functions
void	setup_local_orb_blocks ()

void	setup (Parameter_Map &param_map)

void	setup ()

	Eigenvector_Printer_SLEPc (Mat A_, EPS eps_, Organize_Blocks *org_bl)

	Eigenvector_Printer_SLEPc (SLEPc_Solver solver, Organize_Blocks org_bl)

void	check_fully_initialized () const

virtual int	get_n_converged () const

virtual double	get_eigenvalue (int i) const

virtual void	print_eigenvalues () const

virtual void	print_eigenvector (int i) const

virtual void	print_eigenvector_Kramers (int i) const

bool	has_Kramers_partner (int i) const
	Kramers part:

virtual void	calculate_alpha_beta_Kramers_sz (std::complex< double > &alpha, std::complex< double > &beta, int i) const

virtual std::complex< double >	calculate_max_phase_factor (std::complex< double > alpha, std::complex< double > beta, int i) const

Public Member Functions inherited from Eigenvector_Printer
bool	orbs_are_spinless () const

const std::string &	get_EV_header (int i) const

void	print_block (std::string &str, std::complex< double > *ptr, int blocksize, int baseindex) const

virtual int	get_actual_nr_print () const

virtual void	print () const

	Eigenvector_Printer (Organize_Blocks *org, bool spinless_=true)

	Eigenvector_Printer (size_t DIM, bool spinless_=true)

Public Attributes
int	MPI_rank

int	MPI_size

Mat *	A

EPS *	eps

int	nrorb

Organize_Blocks_By_List	local_orb_blocks
	contains blocksizes for the atoms stored on the local node

Public Attributes inherited from Eigenvector_Printer
int	round_figure

std::string	EV_filename_pattern

std::string	eigenvalue_filename

int	nr_print

bool	override_printEV

std::string	EV_header

std::vector< std::string >	EV_header_individual

bool	print_sparse

double	print_sparse_cutoff

bool	print_error_cout

bool	silent

bool	print_Kramers_sz
	variables dealing with Kramers pairs:

double	kramers_tolerance

Organize_Blocks *	orb_blocks

std::string(*	sparse_print_index )(size_t line_counter, void *spi_ctx)

void *	spi_ctx

Additional Inherited Members
Static Public Member Functions inherited from Eigenvector_Printer
static std::string	sparse_print_index_default (size_t line_counter, void *spi_ctx)

Protected Attributes inherited from Eigenvector_Printer
bool	delete_orb_blocks_on_destruction

bool	spinless

Member Function Documentation

void Eigenvector_Printer_SLEPc::calculate_alpha_beta_Kramers_sz	(	std::complex< double > &	alpha,
		std::complex< double > &	beta,
		int	i
	)		const

virtual

Theory: <s_z> = ( alpha* <0| + beta* <1| ) s_z ( alpha |0> + beta |1> )

<sz> = 1/2 * ( |alpha|^2 ( |f0(up)|^2 - |f0(down)|^2 )

|beta|^2 ( |f1(up)|^2 - |f1(down)|^2 )
alpha^* beta ( f0^*(up) f1(up) - f0^*(down) f1(down) )
alpha beta^* ( f1^*(up) f0(up) - f1^*(down) f0(down) ) ) =: (alpha^*, beta^*) M (alpha, beta)^T with M=1/2*( (|f0(up)|^2-|f0(down)|^2) (f0^*(up)f1(up)-f0^*(down)f1(down) (f1^*(up)f0(up)-f1^*(down)f0(down)) (|f1(up)|^2-|f1(down)|^2) )

=> maximal or minimal when (alpha, beta)^T is an eigenvector of M

Note also: f1(down)= - Re(f0(up)) + i Im(f0(up)) f1(up)= Re(f0(down)) - i Im(f0(down)),

f0(down)= Re(f1(up)) - i Im(f1(up)) f0(up) = - Re(f1(down)) + Im (f1(down))

Reimplemented from Eigenvector_Printer.

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

/home/moritz/QNANO_PRODUCTION/qnano_new/include/slepc/Eigenvector_Printer_SLEPc.h
/home/moritz/QNANO_PRODUCTION/qnano_new/sources/slepc/Eigenvector_Printer_SLEPc.cc