k_vector_utils.h

Go to the documentation of this file.

//
// Created by rhx on 25-6-3.
//
 
#ifndef K_VECTOR_UTILS_H
#define K_VECTOR_UTILS_H
 
#include "source_base/global_variable.h"
#include "source_base/matrix3.h"
#include "source_cell/unitcell.h"
 
class K_Vectors;
 
namespace KVectorUtils
{
void kvec_d2c(K_Vectors& kv, const ModuleBase::Matrix3& reciprocal_vec);
 
void kvec_c2d(K_Vectors& kv, const ModuleBase::Matrix3& latvec);
 
void set_both_kvec(K_Vectors& kv, const ModuleBase::Matrix3& G, const ModuleBase::Matrix3& R, std::string& skpt);
 
void set_after_vc(K_Vectors& kv, const int& nspin, const ModuleBase::Matrix3& G);
 
void print_klists(const K_Vectors& kv, std::ofstream& ofs);
 
// step 3 : mpi kpoints information.
 
#ifdef __MPI
void kvec_mpi_k(K_Vectors& kv);
#endif // __MPI
 
void kvec_ibz_kpoint(K_Vectors& kv,
                     const ModuleSymmetry::Symmetry& symm,
                     bool use_symm,
                     std::string& skpt,
                     const UnitCell& ucell,
                     bool& match);
} // namespace KVectorUtils
 
#endif // K_VECTOR_UTILS_H