abacus-develop/source/source_base/complexarray.h at develop · DawnTilDusk/abacus-develop · GitHub

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#ifndef COMPLEX_ARRAY_H

#define COMPLEX_ARRAY_H

#include <complex>

#include <iostream>

#include <fstream>

#include <iomanip>

#include <cassert>

namespace ModuleBase

{

/// @brief A basic type of data for complex array

class ComplexArray

{

public:

std::complex<double> *ptr=nullptr; // data array

ComplexArray(const int bnd1=0, const int bnd2=1, const int bnd3=1, const int bnd4=1);

~ComplexArray();

void freemem();

void create(const int bnd1=0, const int bnd2=1, const int bnd3=1, const int bnd4=1);

ComplexArray(const ComplexArray &cd);

ComplexArray(ComplexArray &&cd);

/****************************************************

* OPERATOR FUNCTIONS

***************************************************/

ComplexArray& operator=(ComplexArray &&cd);

ComplexArray &operator=(const ComplexArray &cd);

/// Assignment of scalar: all entries set to c.

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

/// Add two ComplexArray

ComplexArray operator+(const ComplexArray &cd) const;

/// Accumulate sum of ComplexArray

void operator+=(const ComplexArray &cd);

/// Subtract two ComplexArray

ComplexArray operator-(const ComplexArray &cd) const;

/// Accumulate difference of arrays

void operator-=(const ComplexArray &cd);

/// Scale a ComplexArray by real r

ComplexArray operator*(const double r) const;

/// Scale a ComplexArray by a std::complex number c

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

/// Scale a ComplexArray by real number in place

void operator*=(const double r);

/// Scale a ComplexArray by std::complex c in place

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

/// accumulate pointwise multiply

void operator*=(const ComplexArray &cd);

/// Judge if two ComplexArray is equal

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

/// Judge if two ComplexArray is not equal

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

/// overloaded subscript operator for non-const std::complex Array const reference return creates an lvakue

std::complex <double> &operator()

(const int ind1=0, const int ind2=0, const int ind3=0, const int ind4=0)

{

assert(ind1>=0); assert(ind1<bound1);

assert(ind2>=0); assert(ind2<bound2);

assert(ind3>=0); assert(ind3<bound3);

assert(ind4>=0); assert(ind4<bound4);

const int ind = ((ind1 * bound2 + ind2) * bound3 + ind3) * bound4 + ind4;

return ptr[ind];

};

// std::complex < double> &operator()(int, int, int, int, int);

/// overloaded subscript operator for const std::complex Array const reference return creates an cvakue

const std::complex <double> &operator()

(const int ind1=0, const int ind2=0, const int ind3=0, const int ind4=0) const

{

assert(ind1>=0); assert(ind1<bound1);

assert(ind2>=0); assert(ind2<bound2);

assert(ind3>=0); assert(ind3<bound3);

assert(ind4>=0); assert(ind4<bound4);

const int ind = ((ind1 * bound2 + ind2) * bound3 + ind3) * bound4 + ind4;

return ptr[ind];

};

// const std::complex < double> &operator()(int, int, int, int, int)const;

/****************************************************

* MEMBER FUNCTIONS

***************************************************/

/// set all elements to be {0.0,0.0}

void zero_out(void);

/// Negates all the entries in the array

void negate(void);

/// set all elements to a random number whose real/image is between [-0.5,0.5).

void randomize(void);

int getBound1()const{ return bound1; }

int getBound2()const{ return bound2; }

int getBound3()const{ return bound3; }

int getBound4()const{ return bound4; }

int getSize()const{ return bound1*bound2*bound3*bound4; }

private:

int bound1, bound2, bound3, bound4;

void init(const int size);

};

/// Scale a ComplexArray cd by real r

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

/// Scale a ComplexArray cd by std::complex number c

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

/// Sum of absolute squares of all elements in cd

double abs2(const ComplexArray &cd);

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

// ComplexArray &out);

/// Take "dot-product" of two ComplexArray: sum of cd1(conjugate)[i] * cd2[i]

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

/// Does cd2 += r * cd1

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

/// Does cd2 += c * cd1

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

/// Does cd3 = r1*cd1 + r2*cd2

void scaled_sum(double r1, const ComplexArray &cd1,

double r2, const ComplexArray &cd2,

ComplexArray &cd3);

/// Does cd3 = c1*cd1 + c2*cd2

void scaled_sum(std::complex <double> c1, const ComplexArray &cd1,

std::complex <double> c2, const ComplexArray &cd2,

ComplexArray &cd3);

/// out[i] = a1[i] * in2[i]

void point_mult(ComplexArray &a1, ComplexArray &in2, ComplexArray &out);

/// set elements of u as zero which u is 1_d std::complex array

template <class T>

void zeros(std::complex <T> *u, int n)

{

if (n == 0 || u == 0)

{

std::cout << "\n error in zeros(),n or u = 0";

return;

}

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

{

u[i] = std::complex <T> (0.0, 0.0);

}

#endif // COMPLEX_ARRAY_H

abacus-develop/source/source_base/complexarray.h at develop · DawnTilDusk/abacus-develop · GitHub

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