abacus-develop/source/source_base/complexarray.cpp at develop · maki49/abacus-develop · GitHub

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#include <iostream>

#include <fstream>

#include <iomanip>

#include <complex>

#include <cstdlib>

#include <cassert>

#include "complexarray.h"

namespace ModuleBase

{

void complexArrayxAlloc()

{

std::cerr << "Allocation error for complexArray" << std::endl;

std::exit(EXIT_FAILURE);

}

ComplexArray::ComplexArray(const int bnd1, const int bnd2, const int bnd3, const int bnd4)

{

bound1 = bnd1;

bound2 = bnd2;

bound3 = bnd3;

bound4 = bnd4;

init(this->getSize());

}

ComplexArray::~ComplexArray()

{

freemem();

}

void ComplexArray::init(const int size)

{

assert(size>=0);

if(size>0)

{

ptr = new std::complex<double> [size];

assert(ptr != 0);

}

else

{

ptr = nullptr;

}

void ComplexArray::freemem()

{

delete [] ptr;

ptr = nullptr;

bound1 = 0;

bound2 = 0;

bound3 = 0;

bound4 = 0;

}

void ComplexArray::create(const int bnd1, const int bnd2, const int bnd3, const int bnd4)

{

delete [] ptr;

bound1 = bnd1;

bound2 = bnd2;

bound3 = bnd3;

bound4 = bnd4;

const int size = this->getSize();

this->init(size);

this->zero_out();

}

ComplexArray::ComplexArray(const ComplexArray &cd)

{

this->freemem();

const int size = cd.getSize();

this->init(size);

for (int i = 0; i < size; i++)

{

ptr[i] = cd.ptr[i];

}

this->bound1 = cd.bound1;

this->bound2 = cd.bound2;

this->bound3 = cd.bound3;

this->bound4 = cd.bound4;

}

ComplexArray::ComplexArray(ComplexArray &&cd)

{

delete [] this->ptr;

this->ptr = cd.ptr;

cd.ptr = nullptr;

this->bound1 = cd.bound1;

cd.bound1 = 0;

this->bound2 = cd.bound2;

cd.bound2 = 0;

this->bound3 = cd.bound3;

cd.bound3 = 0;

this->bound4 = cd.bound4;

cd.bound4 = 0;

}

ComplexArray& ComplexArray::operator=(ComplexArray &&cd)

{

delete [] this->ptr;

this->ptr = cd.ptr;

cd.ptr = nullptr;

this->bound1 = cd.bound1;

cd.bound1 = 0;

this->bound2 = cd.bound2;

cd.bound2 = 0;

this->bound3 = cd.bound3;

cd.bound3 = 0;

this->bound4 = cd.bound4;

cd.bound4 = 0;

return *this;

}

ComplexArray &ComplexArray::operator=(const ComplexArray & cd)

{

const int size = this->getSize();

assert(size==cd.getSize());

for (int i = 0; i < size; i++)

{

ptr[i] = cd.ptr[i];

}

return *this;

}

void ComplexArray::operator=(const std::complex < double> c)

{

const int size = this->getSize();

for (int i = 0; i < size; i++)

{

ptr[i] = c;

}

ComplexArray ComplexArray::operator+(const ComplexArray &cd) const

{

const int size = this->getSize();

assert(size==cd.getSize());

ComplexArray cd2(*this);

for (int i = 0; i < size; i++)

{

cd2.ptr[i] += cd.ptr[i];

}

return cd2;

}

void ComplexArray::operator+=(const ComplexArray & cd)

{

const int size = this->getSize();

assert(size==cd.getSize());

for (int i = 0; i < size; i++)

{

ptr[i] += cd.ptr[i];

}

ComplexArray ComplexArray::operator-(const ComplexArray &cd) const

{

const int size = this->getSize();

assert(size==cd.getSize());

ComplexArray cd2(*this);

for (int i = 0; i < size; i++)

{

cd2.ptr[i] -= cd.ptr[i];

}

return cd2;

}

void ComplexArray::operator-=(const ComplexArray & cd)

{

const int size = this->getSize();

assert(size==cd.getSize());

for (int i = 0; i < size; i++)

{

ptr[i] -= cd.ptr[i];

}

void ComplexArray::operator*=(const ComplexArray & cd)

{

const int size = this->getSize();

assert(size==cd.getSize());

for (int i = 0; i < size; i++)

{

ptr[i] *= cd.ptr[i];

}

ComplexArray operator*(const double r, const ComplexArray &cd)

{

ComplexArray cd2(cd);

const int size = cd.getSize();

for (int i = 0; i < size; i++)

{

cd2.ptr[i] *= r;

}

return cd2;

}

ComplexArray ComplexArray::operator*(const double r) const

{

ComplexArray cd2(*this);

const int size = this->getSize();

for (int i = 0; i < size; i++)

{

cd2.ptr[i] *= r;

}

return cd2;

}

ComplexArray operator*(const std::complex < double> c, const ComplexArray &cd)

{

const int size = cd.getSize();

ComplexArray cd2(cd.getSize());

for (int i = 0; i < size; i++)

{

cd2.ptr[i] = c * cd.ptr[i];

}

return cd2;

}

ComplexArray ComplexArray::operator*(const std::complex < double> c) const

{

const int size = this->getSize();

ComplexArray cd(size);

for (int i = 0; i < size; i++)

{

cd.ptr[i] = ptr[i] * c;

}

return cd;

}

void ComplexArray::operator*=(const std::complex <double> c)

{

const int size = this->getSize();

for (int i = 0; i < size; i++)

{

ptr[i] *= c;

}

void ComplexArray::operator*=(const double r)

{

const int size = this->getSize();

for (int i = 0; i < size; i++)

{

ptr[i] *= r;

}

bool ComplexArray::operator==(const ComplexArray &cd2)const

{

const int size1 = this->getSize();

const int size2 = cd2.getSize();

const int b11 = this->getBound1();

const int b12 = this->getBound2();

const int b13 = this->getBound3();

const int b14 = this->getBound4();

const int b21 = cd2.getBound1();

const int b22 = cd2.getBound2();

const int b23 = cd2.getBound3();

const int b24 = cd2.getBound4();

if (size1 != size2)

{

return false;

}

if (b11 != b21)

{

return false;

}

if (b12 != b22)

{

return false;

}

if (b13 != b23)

{

return false;

}

if (b14 != b24)

{

return false;

}

for ( int i = 0;i <size1;++i)

{

if (this->ptr[i] != cd2.ptr[i])

{

return false;

}

return true;

}

bool ComplexArray::operator!=(const ComplexArray &cd2)const

{

const int size1 = this->getSize();

const int size2 = cd2.getSize();

const int b11 = this->getBound1();

const int b12 = this->getBound2();

const int b13 = this->getBound3();

const int b14 = this->getBound4();

const int b21 = cd2.getBound1();

const int b22 = cd2.getBound2();

const int b23 = cd2.getBound3();

const int b24 = cd2.getBound4();

if (size1 != size2)

{

return true;

}

if (b11 != b21)

{

return true;

}

if (b12 != b22)

{

return true;

}

if (b13 != b23)

{

return true;

}

if (b14 != b24)

{

return true;

}

for ( int i = 0;i <size1;++i)

{

if (this->ptr[i] != cd2.ptr[i])

{

return true;

}

return false;

}

void ComplexArray::zero_out(void)

{

const int size = this->getSize();

for (int i = 0;i < size; i++)

{

ptr[i] = std::complex < double> (0.0, 0.0);

}

void ComplexArray::negate(void)

{

const int size = this->getSize();

for (int i = 0;i < size; i++)

{

ptr[i] = -ptr[i];

}

void ComplexArray::randomize(void)

{

const int size = this->getSize();

for (int i = 0;i < size; i++)

{

ptr[i] = std::complex < double> (rand() / (RAND_MAX + 1.) - .5,

rand() / (RAND_MAX + 1.) - .5);

}

double abs2(const ComplexArray &cd)

{

double cdcd= 0.0;

const int size = cd.getSize();

for (int i = 0; i < size; i++)

{

const std::complex < double> c = cd.ptr[i];

cdcd += c.real() * c.real() + c.imag() * c.imag();

}

return cdcd;

}

// void add_scale_abs2(const std::complex < double> &c, const ComplexArray & in, ComplexArray &out){

// assert(in.getSize() == out.getSize());

// const int size = in.getSize();

// for (int i = 0; i < size; i++)

// out.ptr[i] += std::complex < double> (c.real() * 22, c.imag() * 22);}

std::complex<double> dot(const ComplexArray &cd1, const ComplexArray &cd2)

{

assert(cd1.getSize()==cd2.getSize());

const int size = cd1.getSize();

std::complex < double> dot12(0.0,0.0);

for (int i = 0; i < size; i++)

{

dot12 += std::complex < double>

(cd1.ptr[i].real() * cd2.ptr[i].real() +

cd1.ptr[i].imag() * cd2.ptr[i].imag(),

cd1.ptr[i].real() * cd2.ptr[i].imag() -

cd1.ptr[i].imag() * cd2.ptr[i].real());

}

return dot12;

}

void scale_accumulate(double r, const ComplexArray &cd1, ComplexArray &cd2)

{

assert(cd1.getSize()==cd2.getSize());

const int size = cd1.getSize();

for (int i = 0; i < size; i++)

{

cd2.ptr[i] += r * cd1.ptr[i];

}

void scale_accumulate(const std::complex<double> c, const ComplexArray &cd1, ComplexArray &cd2)

{

assert(cd1.getSize()==cd2.getSize());

const int size = cd1.getSize();

for (int i = 0; i < size; i++)

{

cd2.ptr[i] += c * cd1.ptr[i];

}

void scaled_sum(double r1, const ComplexArray &cd1,double r2, const ComplexArray &cd2,ComplexArray &cd3)

{

assert(cd1.getSize()==cd2.getSize());

assert(cd1.getSize()==cd3.getSize());

const int size = cd1.getSize();

for (int i = 0; i < size; i++)

{

cd3.ptr[i] = r1 * cd1.ptr[i] + r2 * cd2.ptr[i];

}

void scaled_sum(std::complex < double> c1, const ComplexArray &cd1,std::complex < double> c2, const ComplexArray &cd2,ComplexArray &cd3)

{

assert(cd1.getSize()==cd2.getSize());

assert(cd1.getSize()==cd3.getSize());

const int size = cd1.getSize();

for (int i = 0; i < size; i++)

{

cd3.ptr[i] = c1 * cd1.ptr[i] + c2 * cd2.ptr[i];

}

void point_mult(ComplexArray &in1, ComplexArray &in2, ComplexArray &out)

{

assert(in1.getSize()==in2.getSize());

assert(in1.getSize()==out.getSize());

const int size = in1.getSize();

for (int i = 0; i < size; i++)

{

out.ptr[i] = std::complex < double>

(in1.ptr[i].real() * in2.ptr[i].real() -

in1.ptr[i].imag() * in2.ptr[i].imag(),

in1.ptr[i].real() * in2.ptr[i].imag() +

in1.ptr[i].imag() * in2.ptr[i].real());

}

abacus-develop/source/source_base/complexarray.cpp at develop · maki49/abacus-develop · GitHub

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