IGMPlot: src/eig3.cpp File Reference

IGMPlot 3.16 Optimized IGMplot version able to use wfn/wfx/xyz files

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eig3.cpp File Reference

Implementation of eig3.h definitions. More...

`#include <eig3.h>`
`#include <iostream>`
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## Functions
double | hypot2 (double x, double y)
| Tool function making hypotenus computation.
void | tred2 (double V[3][3], double d[3], double e[3])
| This is derived from the Algol procedures tred2 by Bowdler, Martin, Reinsch, and Wilkinson, Handbook for Auto. Comp., Vol.ii-Linear Algebra, and the corresponding Fortran subroutine in EISPACK.
void | tql2 (double V[3][3], double d[3], double e[3])
| This is derived from the Algol procedures tql2, by Bowdler, Martin, Reinsch, and Wilkinson, Handbook for Auto. Comp., Vol.ii-Linear Algebra, and the corresponding Fortran subroutine in EISPACK.
void | eigen_decomposition (double **A, double V[3][3], double d[3])
| Symmetric matrix A => eigenvectors in columns of V, corresponding eigenvalues in d.

## Detailed Description

Implementation of eig3.h definitions.

## Function Documentation

## ◆ eigen_decomposition()

void eigen_decomposition | ( | double ** | A,
|  | double | V[3][3],
|  | double | d[3] )

Symmetric matrix A => eigenvectors in columns of V, corresponding eigenvalues in d.

Warning
  first parameter is a double** but is considered as A[3][3]

Parameters

  A | symmetric matrix
  V | eigen vectors
  d | eigen values

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## ◆ hypot2()

double hypot2 | ( | double | x,
|  | double | y )

Tool function making hypotenus computation.

Parameters

  x |
  y |

Returns
  the result of sqrt(x*x+y*y)

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## ◆ tql2()

void tql2 | ( | double | V[3][3],
|  | double | d[3],
|  | double | e[3] )

This is derived from the Algol procedures tql2, by Bowdler, Martin, Reinsch, and Wilkinson, Handbook for Auto. Comp., Vol.ii-Linear Algebra, and the corresponding Fortran subroutine in EISPACK.

Parameters

  V | eigen vectors
  d | eigen values
  e | TO DOCUMENT

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## ◆ tred2()

void tred2 | ( | double | V[3][3],
|  | double | d[3],
|  | double | e[3] )

This is derived from the Algol procedures tred2 by Bowdler, Martin, Reinsch, and Wilkinson, Handbook for Auto. Comp., Vol.ii-Linear Algebra, and the corresponding Fortran subroutine in EISPACK.

Parameters

  V | eigen vectors
  d | eigen values
  e | TO DOCUMENT

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