#include "ORB_nonlocal.h"

#include "../module_base/global_function.h"

Numerical_Nonlocal::Numerical_Nonlocal()

{

//make std::pair of new and delete

//question remains

this->type = 0;

this->lmax = 0;

this->Proj = new Numerical_Nonlocal_Lm[1];

this->nproj = -1;

//zhengdy-soc, for optimize nonlocal part

}

Numerical_Nonlocal::~Numerical_Nonlocal()

{

delete[] Proj;

}

void Numerical_Nonlocal::set_type_info

(

const int& type_in,

const std::string& label_in,

const std::string& type_ps_in,

const int& lmax_in,

const int& nproj_in,

const Numerical_Nonlocal_Lm* Proj_in

)

{

//ModuleBase::TITLE("Numerical_Nonlocal","set_type_info");

this->type = type_in;

this->label = label_in;

this->type_ps = type_ps_in;

if (lmax_in < -1 || lmax_in > 20)

{

ModuleBase::WARNING_QUIT("Numerical_Nonlocal", "bad input of lmax : should be between -1 and 20");

}

this->lmax = lmax_in;

this->nproj = nproj_in;

assert(nproj >= 0);

//----------------------------------------------------------

// EXPLAIN : non_local pseudopotential projector for each l

//----------------------------------------------------------

//only store radial function

delete[] Proj;

this->Proj = new Numerical_Nonlocal_Lm[this->nproj];

for (int p1=0; p1<nproj; p1++)

{

this->Proj[p1] = Proj_in[p1];

}

this->rcut_max = 0.0;

for(int p1=0; p1<nproj; p1++)

{

this->rcut_max = max( this->Proj[p1].getRcut(), rcut_max );

}

return;

}