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Atomic-orbital Based Ab-initio Computation at UStc
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Public Attributes | List of all members
stru_ Struct Reference

#include <symmetry_test.h>

Collaboration diagram for stru_:

Public Attributes

int ibrav
 
std::string point_group
 
std::string point_group_hm
 
std::string space_group
 
std::vector< double > cell
 
std::vector< atomtype_all_type
 
std::string coordtype
 
std::vector< int > force_zero_iat
 
std::map< int, int > force_oppo_iat
 
std::vector< std::vector< int > > force_oppo_iat_xyz
 
std::vector< std::pair< int, int > > stress_zero
 
std::vector< std::vector< std::pair< int, int > > > stress_eq
 

Member Data Documentation

◆ all_type

std::vector< atomtype_ > stru_::all_type

◆ cell

std::vector< double > stru_::cell

◆ coordtype

std::string stru_::coordtype

◆ force_oppo_iat

std::map<int, int> stru_::force_oppo_iat

◆ force_oppo_iat_xyz

std::vector<std::vector<int> > stru_::force_oppo_iat_xyz

◆ force_zero_iat

std::vector<int> stru_::force_zero_iat

◆ ibrav

int stru_::ibrav

◆ point_group

std::string stru_::point_group

◆ point_group_hm

std::string stru_::point_group_hm

◆ space_group

std::string stru_::space_group

◆ stress_eq

std::vector<std::vector<std::pair<int, int> > > stru_::stress_eq

◆ stress_zero

std::vector<std::pair<int, int> > stru_::stress_zero

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