grid_meshk.cpp

#include "grid_meshk.h"
#include "module_hamilt_pw/hamilt_pwdft/global.h"

Grid_MeshK::Grid_MeshK()
{
	ucell_index2x = nullptr;
	ucell_index2y = nullptr;
	ucell_index2z = nullptr;
}

Grid_MeshK::~Grid_MeshK()
{
    if(ucell_index2x!=nullptr)
	{
		delete[] ucell_index2x;
	}
   
    if(ucell_index2y!=nullptr)
	{
		delete[] ucell_index2y;
	}

    if(ucell_index2z!=nullptr)
	{
		delete[] ucell_index2z;
	}
}

int Grid_MeshK::cal_Rindex(const int &u1, const int &u2, const int &u3)const
{
	const int x1 = u1 - this->minu1;
	const int x2 = u2 - this->minu2;
	const int x3 = u3 - this->minu3;
	
	if(x1<0 || x2<0 || x3<0)
	{
		std::cout << " u1=" << u1 << " minu1=" << minu1 << std::endl;
		std::cout << " u2=" << u2 << " minu2=" << minu2 << std::endl;
		std::cout << " u3=" << u3 << " minu3=" << minu3 << std::endl;
		ModuleBase::WARNING_QUIT("Grid_MeshK::cal_Rindex","x1<0 || x2<0 || x3<0 !");
	}

	assert(x1>=0);
	assert(x2>=0);
	assert(x3>=0);

	return (x3 + x2 * this->nu3 + x1 * this->nu2 * this->nu3);
}