src/gromacs/math/invertmatrix.h

   1 /*
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   4  * Copyright (c) 2015, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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  35 /*! \libinternal \file
  36  * \brief
  37  * Declares routines to invert 3x3 matrices
  38  *
  39  * \author Mark Abraham <mark.j.abraham@gmail.com>
  40  * \ingroup module_math
  41  * \inlibraryapi
  42  */
  43 #ifndef GMX_MATH_INVERTMATRIX_H
  44 #define GMX_MATH_INVERTMATRIX_H
  45
  46 #include "gromacs/math/vec.h"
  47 #include "gromacs/utility/basedefinitions.h"
  48
  49 namespace gmx
  50 {
  51
  52 /*! \brief Invert a simulation-box matrix in \c src, return in \c dest
  53  *
  54  * This routine assumes that src is a simulation-box matrix, i.e. has
  55  * zeroes in the upper-right triangle. A fatal error occurs if the
  56  * product of the leading diagonal is too small. The inversion can be
  57  * done "in place", i.e \c src and \c dest can be the same matrix.
  58  */
  59 void invertBoxMatrix(const matrix src, matrix dest);
  60
  61 /*! \brief Invert a general 3x3 matrix in \c src, return in \c dest
  62  *
  63  * A fatal error occurs if the determinant is too small. \c src and
  64  * \c dest cannot be the same matrix.
  65  */
  66 void invertMatrix(const matrix src, matrix dest);
  67
  68 } // namespace gmx
  69
  70 #endif