abacus-develop/source/source_psi/psi_initializer_random.cpp at develop · pplab/abacus-develop · GitHub

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#include "psi_initializer_random.h"

#ifdef __MPI

#include <mpi.h>

#endif

#include "source_base/parallel_global.h"

#include "source_base/timer.h"

#include "source_cell/parallel_kpoints.h"

#include "source_io/module_parameter/parameter.h"

template <typename T>

void psi_initializer_random<T>::initialize(const Structure_Factor* sf,

const ModulePW::PW_Basis_K* pw_wfc,

const UnitCell* p_ucell,

const K_Vectors* p_kv_in,

const int& random_seed,

const pseudopot_cell_vnl* p_pspot_nl,

const int& rank)

{

psi_initializer<T>::initialize(sf, pw_wfc, p_ucell, p_kv_in, random_seed, p_pspot_nl, rank);

this->ixy2is_.clear();

this->ixy2is_.resize(this->pw_wfc_->fftnxy);

this->pw_wfc_->getfftixy2is(this->ixy2is_.data());

this->nbands_start_ = PARAM.inp.nbands;

this->nbands_complem_ = 0;

}

template <typename T>

void psi_initializer_random<T>::init_psig(T* psig, const int& ik)

{

ModuleBase::timer::tick("psi_init_random", "init_psig");

this->random_t(psig, 0, this->nbands_start_, ik);

ModuleBase::timer::tick("psi_init_random", "init_psig");

}

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

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

// gamma point calculation

template class psi_initializer_random<double>;

template class psi_initializer_random<float>;

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