Loading...
Searching...
No Matches
Public Attributes | List of all members
q3::SCFIteratorConfig Struct Reference

#include <config.hpp>

+ Inheritance diagram for q3::SCFIteratorConfig:

Public Attributes

Real convergence_threshold = 1e-6
 
Crystal * crystal_structure = nullptr
 
int maximum_iterations = 100
 
int number_of_spin_components = 1
 

Detailed Description

Definition at line 15 of file config.hpp.

Member Data Documentation

◆ convergence_threshold

Real q3::SCFIteratorConfig::convergence_threshold = 1e-6

Definition at line 18 of file config.hpp.

Referenced by q3::create_kohn_sham_iterator(), and q3::bindings::SCFSolver::solve().

◆ crystal_structure

Crystal* q3::SCFIteratorConfig::crystal_structure = nullptr

Definition at line 16 of file config.hpp.

Referenced by q3::create_kohn_sham_iterator(), and q3::bindings::SCFSolver::solve().

◆ maximum_iterations

int q3::SCFIteratorConfig::maximum_iterations = 100

Definition at line 19 of file config.hpp.

Referenced by q3::create_kohn_sham_iterator(), and q3::bindings::SCFSolver::solve().

◆ number_of_spin_components

int q3::SCFIteratorConfig::number_of_spin_components = 1

Definition at line 17 of file config.hpp.

Referenced by q3::create_kohn_sham_iterator(), and q3::bindings::SCFSolver::solve().

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