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211 lines
6.1 KiB
C
211 lines
6.1 KiB
C
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/**
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* @file
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* \brief Library functions to compute [QR
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* decomposition](https://en.wikipedia.org/wiki/QR_decomposition) of a given
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* matrix.
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* \author [Krishna Vedala](https://github.com/kvedala)
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*/
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#ifndef NUMERICAL_METHODS_QR_DECOMPOSE_H_
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#define NUMERICAL_METHODS_QR_DECOMPOSE_H_
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#include <cmath>
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#include <cstdlib>
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#include <iomanip>
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#include <iostream>
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#include <limits>
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#include <numeric>
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#include <valarray>
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#ifdef _OPENMP
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#include <omp.h>
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#endif
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/** \namespace qr_algorithm
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* \brief Functions to compute [QR
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* decomposition](https://en.wikipedia.org/wiki/QR_decomposition) of any
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* rectangular matrix
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*/
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namespace qr_algorithm {
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/**
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* operator to print a matrix
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*/
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template <typename T>
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std::ostream &operator<<(std::ostream &out,
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std::valarray<std::valarray<T>> const &v) {
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const int width = 12;
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const char separator = ' ';
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out.precision(4);
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for (size_t row = 0; row < v.size(); row++) {
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for (size_t col = 0; col < v[row].size(); col++)
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out << std::right << std::setw(width) << std::setfill(separator)
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<< v[row][col];
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out << std::endl;
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}
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return out;
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}
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/**
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* operator to print a vector
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*/
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template <typename T>
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std::ostream &operator<<(std::ostream &out, std::valarray<T> const &v) {
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const int width = 10;
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const char separator = ' ';
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out.precision(4);
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for (size_t row = 0; row < v.size(); row++) {
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out << std::right << std::setw(width) << std::setfill(separator)
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<< v[row];
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}
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return out;
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}
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/**
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* Compute dot product of two vectors of equal lengths
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*
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* If \f$\vec{a}=\left[a_0,a_1,a_2,...,a_L\right]\f$ and
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* \f$\vec{b}=\left[b_0,b_1,b_1,...,b_L\right]\f$ then
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* \f$\vec{a}\cdot\vec{b}=\displaystyle\sum_{i=0}^L a_i\times b_i\f$
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*
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* \returns \f$\vec{a}\cdot\vec{b}\f$
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*/
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template <typename T>
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inline double vector_dot(const std::valarray<T> &a, const std::valarray<T> &b) {
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return (a * b).sum();
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// could also use following
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// return std::inner_product(std::begin(a), std::end(a), std::begin(b),
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// 0.f);
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}
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/**
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* Compute magnitude of vector.
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*
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* If \f$\vec{a}=\left[a_0,a_1,a_2,...,a_L\right]\f$ then
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* \f$\left|\vec{a}\right|=\sqrt{\displaystyle\sum_{i=0}^L a_i^2}\f$
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*
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* \returns \f$\left|\vec{a}\right|\f$
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*/
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template <typename T>
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inline double vector_mag(const std::valarray<T> &a) {
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double dot = vector_dot(a, a);
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return std::sqrt(dot);
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}
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/**
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* Compute projection of vector \f$\vec{a}\f$ on \f$\vec{b}\f$ defined as
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* \f[\text{proj}_\vec{b}\vec{a}=\frac{\vec{a}\cdot\vec{b}}{\left|\vec{b}\right|^2}\vec{b}\f]
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*
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* \returns NULL if error, otherwise pointer to output
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*/
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template <typename T>
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std::valarray<T> vector_proj(const std::valarray<T> &a,
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const std::valarray<T> &b) {
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double num = vector_dot(a, b);
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double deno = vector_dot(b, b);
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/*! check for division by zero using machine epsilon */
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if (deno <= std::numeric_limits<double>::epsilon()) {
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std::cerr << "[" << __func__ << "] Possible division by zero\n";
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return a; // return vector a back
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}
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double scalar = num / deno;
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return b * scalar;
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}
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/**
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* Decompose matrix \f$A\f$ using [Gram-Schmidt
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*process](https://en.wikipedia.org/wiki/QR_decomposition).
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*
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* \f{eqnarray*}{
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* \text{given that}\quad A &=&
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*\left[\mathbf{a}_1,\mathbf{a}_2,\ldots,\mathbf{a}_{N-1},\right]\\
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* \text{where}\quad\mathbf{a}_i &=&
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* \left[a_{0i},a_{1i},a_{2i},\ldots,a_{(M-1)i}\right]^T\quad\ldots\mbox{(column
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* vectors)}\\
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* \text{then}\quad\mathbf{u}_i &=& \mathbf{a}_i
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*-\sum_{j=0}^{i-1}\text{proj}_{\mathbf{u}_j}\mathbf{a}_i\\
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* \mathbf{e}_i &=&\frac{\mathbf{u}_i}{\left|\mathbf{u}_i\right|}\\
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* Q &=& \begin{bmatrix}\mathbf{e}_0 & \mathbf{e}_1 & \mathbf{e}_2 & \dots &
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* \mathbf{e}_{N-1}\end{bmatrix}\\
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* R &=& \begin{bmatrix}\langle\mathbf{e}_0\,,\mathbf{a}_0\rangle &
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* \langle\mathbf{e}_1\,,\mathbf{a}_1\rangle &
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* \langle\mathbf{e}_2\,,\mathbf{a}_2\rangle & \dots \\
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* 0 & \langle\mathbf{e}_1\,,\mathbf{a}_1\rangle &
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* \langle\mathbf{e}_2\,,\mathbf{a}_2\rangle & \dots\\
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* 0 & 0 & \langle\mathbf{e}_2\,,\mathbf{a}_2\rangle &
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* \dots\\ \vdots & \vdots & \vdots & \ddots
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* \end{bmatrix}\\
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* \f}
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*/
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template <typename T>
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void qr_decompose(
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const std::valarray<std::valarray<T>> &A, /**< input matrix to decompose */
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std::valarray<std::valarray<T>> *Q, /**< output decomposed matrix */
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std::valarray<std::valarray<T>> *R /**< output decomposed matrix */
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) {
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std::size_t ROWS = A.size(); // number of rows of A
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std::size_t COLUMNS = A[0].size(); // number of columns of A
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std::valarray<T> col_vector(ROWS);
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std::valarray<T> col_vector2(ROWS);
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std::valarray<T> tmp_vector(ROWS);
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for (int i = 0; i < COLUMNS; i++) {
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/* for each column => R is a square matrix of NxN */
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int j;
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R[0][i] = 0.; /* make R upper triangular */
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/* get corresponding Q vector */
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#ifdef _OPENMP
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// parallelize on threads
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#pragma omp for
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#endif
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for (j = 0; j < ROWS; j++) {
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tmp_vector[j] = A[j][i]; /* accumulator for uk */
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col_vector[j] = A[j][i];
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}
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for (j = 0; j < i; j++) {
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for (int k = 0; k < ROWS; k++) {
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col_vector2[k] = Q[0][k][j];
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}
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col_vector2 = vector_proj(col_vector, col_vector2);
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tmp_vector -= col_vector2;
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}
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double mag = vector_mag(tmp_vector);
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#ifdef _OPENMP
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// parallelize on threads
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#pragma omp for
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#endif
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for (j = 0; j < ROWS; j++) Q[0][j][i] = tmp_vector[j] / mag;
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/* compute upper triangular values of R */
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#ifdef _OPENMP
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// parallelize on threads
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#pragma omp for
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#endif
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for (int kk = 0; kk < ROWS; kk++) {
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col_vector[kk] = Q[0][kk][i];
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}
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#ifdef _OPENMP
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// parallelize on threads
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#pragma omp for
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#endif
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for (int k = i; k < COLUMNS; k++) {
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for (int kk = 0; kk < ROWS; kk++) {
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col_vector2[kk] = A[kk][k];
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}
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R[0][i][k] = (col_vector * col_vector2).sum();
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}
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}
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}
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} // namespace qr_algorithm
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#endif // NUMERICAL_METHODS_QR_DECOMPOSE_H_
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