write_wfc_nao.h

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#ifndef WRITE_WFC_NAO_H
#define WRITE_WFC_NAO_H
#include "source_base/matrix.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_psi/psi.h"
#include "source_base/vector3.h"
#include <vector>
 
namespace ModuleIO
{
 
template <typename T>
void write_wfc_nao(const int out_type,
            const bool out_app_flag,
            const psi::Psi<T>& psi,
            const ModuleBase::matrix& ekb,
            const ModuleBase::matrix& wg,
            const std::vector<ModuleBase::Vector3<double>>& kvec_c,
            const std::vector<int> &ik2iktot,
            const int nkstot,
            const Parallel_Orbitals& pv,
            const int nspin,
            const int istep=-1) ;
 
void wfc_nao_write2file(const std::string& name,
                        const double* ctot,
                        const int nlocal,
                        const int ik,
                        const ModuleBase::matrix& ekb,
                        const ModuleBase::matrix& wg,
                        const bool& writeBinary,
                        const bool& append_flag = false);
 
void wfc_nao_write2file_complex(const std::string& name,
                                const std::complex<double>* ctot,
                                const int nlocal,
                                const int& ik,
                                const ModuleBase::Vector3<double>& kvec_c,
                                const ModuleBase::matrix& ekb,
                                const ModuleBase::matrix& wg,
                                const bool& writeBinary = false,
                                const bool& append_flag = false);
}// namespace ModuleIO
#endif