#include "source_psi/setup_psi.h"

#include "source_io/module_parameter/parameter.h" // use parameter

template <typename T>

Setup_Psi<T>::Setup_Psi(){}

template <typename T>

Setup_Psi<T>::~Setup_Psi(){}

// the size of psi may change during scf (in the future we can support such

// calculations: first SZP or DZ, and then DZP calculations.

// In that case, psi may change its size multiple times during SCF

template <typename T>

void Setup_Psi<T>::allocate_psi(

psi::Psi<T>* &psi,

const K_Vectors &kv,

const Parallel_Orbitals &para_orb,

const Input_para &inp)

{

// init electronic wave function psi

if (psi == nullptr)

{

int nsk = 0;

int ncol = 0;

if (PARAM.globalv.gamma_only_local)

{

nsk = inp.nspin;

ncol = para_orb.ncol_bands;

if (inp.ks_solver == "genelpa" || inp.ks_solver == "elpa" || inp.ks_solver == "lapack"

|| inp.ks_solver == "pexsi" || inp.ks_solver == "cusolver"

|| inp.ks_solver == "cusolvermp")

{

ncol = para_orb.ncol;

}

}

else

{

nsk = kv.get_nks();

#ifdef __MPI

ncol = para_orb.ncol_bands;

#else

ncol = inp.nbands;

#endif

}

psi = new psi::Psi<T>(nsk, ncol, para_orb.nrow, kv.ngk, true);

}

}

template <typename T>

void Setup_Psi<T>::deallocate_psi(psi::Psi<T>* &psi)

{

if(psi!=nullptr)

{

delete psi;

}

}

template class Setup_Psi<double>;

template class Setup_Psi<std::complex<double>>;

template class Setup_Psi<float>;

template class Setup_Psi<std::complex<float>>;