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1 /*
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35 /*! \libinternal \file
36 * \brief
37 * Declares routines to invert 3x3 matrices
39 * \author Mark Abraham <mark.j.abraham@gmail.com>
40 * \ingroup module_math
41 * \inlibraryapi
43 #ifndef GMX_MATH_INVERTMATRIX_H
44 #define GMX_MATH_INVERTMATRIX_H
46 #include "gromacs/math/vec.h"
47 #include "gromacs/utility/basedefinitions.h"
49 namespace gmx
52 /*! \brief Invert a simulation-box matrix in \c src, return in \c dest
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.
59 void invertBoxMatrix(const matrix src, matrix dest);
61 /*! \brief Invert a general 3x3 matrix in \c src, return in \c dest
63 * A fatal error occurs if the determinant is too small. \c src and
64 * \c dest cannot be the same matrix.
66 void invertMatrix(const matrix src, matrix dest);
68 } // namespace gmx
70 #endif