votca::xtp::GW_UKS::options Struct Reference

#include <gw_uks.h>

Collaboration diagram for votca::xtp::GW_UKS::options:

Public Attributes
Index	homo_alpha
Index	homo_beta
Index	qpmin
Index	qpmax
Index	rpamin
Index	rpamax
double	eta
double	g_sc_limit
Index	g_sc_max_iterations
double	gw_sc_limit
Index	gw_sc_max_iterations
double	shift = 0
double	ScaHFX = 0.0
std::string	sigma_integration
Index	reset_3c
std::string	qp_solver
double	qp_solver_alpha = 0.75
Index	qp_grid_steps
double	qp_grid_spacing
Index	gw_mixing_order
double	gw_mixing_alpha
std::string	quadrature_scheme
Index	order
double	alpha

Detailed Description

Definition at line 25 of file gw_uks.h.

Member Data Documentation

alpha

double votca::xtp::GW_UKS::options::alpha

Definition at line 49 of file gw_uks.h.

eta

double votca::xtp::GW_UKS::options::eta

Definition at line 32 of file gw_uks.h.

g_sc_limit

double votca::xtp::GW_UKS::options::g_sc_limit

Definition at line 33 of file gw_uks.h.

g_sc_max_iterations

Index votca::xtp::GW_UKS::options::g_sc_max_iterations

Definition at line 34 of file gw_uks.h.

gw_mixing_alpha

double votca::xtp::GW_UKS::options::gw_mixing_alpha

Definition at line 46 of file gw_uks.h.

gw_mixing_order

Index votca::xtp::GW_UKS::options::gw_mixing_order

Definition at line 45 of file gw_uks.h.

gw_sc_limit

double votca::xtp::GW_UKS::options::gw_sc_limit

Definition at line 35 of file gw_uks.h.

gw_sc_max_iterations

Index votca::xtp::GW_UKS::options::gw_sc_max_iterations

Definition at line 36 of file gw_uks.h.

homo_alpha

Index votca::xtp::GW_UKS::options::homo_alpha

Definition at line 26 of file gw_uks.h.

homo_beta

Index votca::xtp::GW_UKS::options::homo_beta

Definition at line 27 of file gw_uks.h.

order

Index votca::xtp::GW_UKS::options::order

Definition at line 48 of file gw_uks.h.

qp_grid_spacing

double votca::xtp::GW_UKS::options::qp_grid_spacing

Definition at line 44 of file gw_uks.h.

qp_grid_steps

Index votca::xtp::GW_UKS::options::qp_grid_steps

Definition at line 43 of file gw_uks.h.

qp_solver

std::string votca::xtp::GW_UKS::options::qp_solver

Definition at line 41 of file gw_uks.h.

qp_solver_alpha

double votca::xtp::GW_UKS::options::qp_solver_alpha = 0.75

Definition at line 42 of file gw_uks.h.

qpmax

Index votca::xtp::GW_UKS::options::qpmax

Definition at line 29 of file gw_uks.h.

qpmin

Index votca::xtp::GW_UKS::options::qpmin

Definition at line 28 of file gw_uks.h.

quadrature_scheme

std::string votca::xtp::GW_UKS::options::quadrature_scheme

Definition at line 47 of file gw_uks.h.

reset_3c

Index votca::xtp::GW_UKS::options::reset_3c

Definition at line 40 of file gw_uks.h.

rpamax

Index votca::xtp::GW_UKS::options::rpamax

Definition at line 31 of file gw_uks.h.

rpamin

Index votca::xtp::GW_UKS::options::rpamin

Definition at line 30 of file gw_uks.h.

ScaHFX

double votca::xtp::GW_UKS::options::ScaHFX = 0.0

Definition at line 38 of file gw_uks.h.

shift

double votca::xtp::GW_UKS::options::shift = 0

Definition at line 37 of file gw_uks.h.

sigma_integration

std::string votca::xtp::GW_UKS::options::sigma_integration

Definition at line 39 of file gw_uks.h.

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

• xtp/include/votca/xtp/gw_uks.h