votca 2024.2-dev
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votca::xtp::BSE::options Struct Reference

#include <bse.h>

Collaboration diagram for votca::xtp::BSE::options:

Public Attributes

bool useTDA
 
Index homo
 
Index rpamin
 
Index rpamax
 
Index qpmin
 
Index qpmax
 
Index vmin
 
Index cmax
 
Index nmax
 
std::string davidson_correction
 
std::string davidson_tolerance
 
std::string davidson_update
 
Index davidson_maxiter
 
double min_print_weight
 
bool use_Hqp_offdiag
 
Index max_dyn_iter
 
double dyn_tolerance
 

Detailed Description

Definition at line 47 of file bse.h.

Member Data Documentation

◆ cmax

Index votca::xtp::BSE::options::cmax

Definition at line 55 of file bse.h.

◆ davidson_correction

std::string votca::xtp::BSE::options::davidson_correction

Definition at line 57 of file bse.h.

◆ davidson_maxiter

Index votca::xtp::BSE::options::davidson_maxiter

Definition at line 60 of file bse.h.

◆ davidson_tolerance

std::string votca::xtp::BSE::options::davidson_tolerance

Definition at line 58 of file bse.h.

◆ davidson_update

std::string votca::xtp::BSE::options::davidson_update

Definition at line 59 of file bse.h.

◆ dyn_tolerance

double votca::xtp::BSE::options::dyn_tolerance

Definition at line 64 of file bse.h.

◆ homo

Index votca::xtp::BSE::options::homo

Definition at line 49 of file bse.h.

◆ max_dyn_iter

Index votca::xtp::BSE::options::max_dyn_iter

Definition at line 63 of file bse.h.

◆ min_print_weight

double votca::xtp::BSE::options::min_print_weight

Definition at line 61 of file bse.h.

◆ nmax

Index votca::xtp::BSE::options::nmax

Definition at line 56 of file bse.h.

◆ qpmax

Index votca::xtp::BSE::options::qpmax

Definition at line 53 of file bse.h.

◆ qpmin

Index votca::xtp::BSE::options::qpmin

Definition at line 52 of file bse.h.

◆ rpamax

Index votca::xtp::BSE::options::rpamax

Definition at line 51 of file bse.h.

◆ rpamin

Index votca::xtp::BSE::options::rpamin

Definition at line 50 of file bse.h.

◆ use_Hqp_offdiag

bool votca::xtp::BSE::options::use_Hqp_offdiag

Definition at line 62 of file bse.h.

◆ useTDA

bool votca::xtp::BSE::options::useTDA

Definition at line 48 of file bse.h.

◆ vmin

Index votca::xtp::BSE::options::vmin

Definition at line 54 of file bse.h.


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