Public Attributes
std::map< std::string, std::vector< std::string > >	interaction_partners

std::vector< std::string >	site_order

association::radial_dist	radial_dist

double	alpha = 0.5

double	rtol = 1e-12

double	atol = 1e-12

int	max_iters = 100

Detailed Description

Definition at line 25 of file association.hpp.

Member Data Documentation

double teqp::association::AssociationOptions::alpha = 0.5

Definition at line 29 of file association.hpp.

double teqp::association::AssociationOptions::atol = 1e-12

Definition at line 30 of file association.hpp.

std::map<std::string, std::vector<std::string> > teqp::association::AssociationOptions::interaction_partners

Definition at line 26 of file association.hpp.

int teqp::association::AssociationOptions::max_iters = 100

Definition at line 31 of file association.hpp.

association::radial_dist teqp::association::AssociationOptions::radial_dist

Definition at line 28 of file association.hpp.

double teqp::association::AssociationOptions::rtol = 1e-12

Definition at line 30 of file association.hpp.

std::vector<std::string> teqp::association::AssociationOptions::site_order

Definition at line 27 of file association.hpp.

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