Params Struct Reference

a simple struct to collect all runtime parameters More...

#include <params.h>

Static Public Member Functions
static void	check_consistency ()
static void	print ()

Static Public Attributes
static std::string	task = "rpa"
	the task to perform in LibRPA.
static std::string	DFT_software = "auto"
static std::string	output_file ="stdout"
	the path of file to store librpa mainly output
static std::string	output_dir = "librpa.d"
	the path of directory to store librpa output files
static int	nfreq = 0
	the number of frequency grid points
static std::string	tfgrids_type = "minimax"
	the type of time-frequency grids
static int	n_params_anacon = -1
	the number of parameters for analytic continuation
static std::string	parallel_routing = "auto"
	type of parallel routing
static double	gf_R_threshold = 1e-4
	threshold of R-space Green's function when construcing.
static double	cs_threshold = 1e-4
	threshold of RI coefficient when parsing. The atomic block with maximal element smaller than it will be filtered.
static double	vq_threshold = 0
	threshold of Coulomb matrix when parsing. The atom-pair block of Coulomb matrix with maximal element smaller than it will be filtered
static double	sqrt_coulomb_threshold = 1e-8
	threshold to filter when computing the square root of Coulomb matrix
static bool	binary_input = false
static double	libri_chi0_threshold_CSM = 0.0
	CS-matrix threshold parsed to RPA object of LibRI.
static double	libri_chi0_threshold_C = 0.0
	Cs threshold parsed to RPA object of LibRI.
static double	libri_chi0_threshold_G = 0.0
	Green's function threshold parsed to RPA object of LibRI.
static bool	use_scalapack_ecrpa = true
	switch of using ScaLAPACK for EcRPA calculation
static double	libri_exx_threshold_CSM = 0.0
	CS-matrix threshold parsed to EXX object of LibRI.
static double	libri_exx_threshold_C = 0.0
	Cs threshold parsed to EXX object of LibRI.
static double	libri_exx_threshold_D = 0.0
	Density matrix threshold parsed to EXX object of LibRI.
static double	libri_exx_threshold_V = 0.0
	Coulomb matrix threshold parsed to EXX object of LibRI.
static bool	use_scalapack_gw_wc = false
	switch of using ScaLAPACK for computing Wc from chi0
static bool	debug = false
	switch of run-time debug mode
static bool	output_gw_sigc_mat = true
	switch of output correlation self-energy matrix
static bool	replace_w_head = true
	switch of replacing head of screened interaction by macroscopic dielectric function
static int	option_dielect_func = 2
	option of computing dielectric function on imaginary axis More...

Detailed Description

a simple struct to collect all runtime parameters

Member Data Documentation

option_dielect_func

int Params::option_dielect_func = 2

static

option of computing dielectric function on imaginary axis

Available values:

• 0: direct read from input
• 1: dielectric model fitting
• 2: cubic-spline interpolation

---

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

• params.h
• params.cpp