Matrix3.hpp

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/*
 * MOAB, a Mesh-Oriented datABase, is a software component for creating,
 * storing and accessing finite element mesh data.
 *
 * Copyright 2004 Sandia Corporation.  Under the terms of Contract
 * DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
 * retains certain rights in this software.
 *
 * This library is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public
 * License as published by the Free Software Foundation; either
 * version 2.1 of the License, or (at your option) any later version.
 */

/**\file Matrix3.hpp
 *\author Jason Kraftcheck (kraftche@cae.wisc.edu)
 *\date 2006-07-18
 *\date 2012-08-2 Updated by rhl to be more generic. less code that does more!
 * TODO: Remove all 'inline' keywords as it is only a suggestion to the compiler
 * anyways, and it will ignore it or add it when it thinks its necessary.
 *\date 2016-08-03 Updated to use Eigen3 support underneath to improve performance
 */

#ifndef MOAB_MATRIX3_HPP
#define MOAB_MATRIX3_HPP

#include <iostream>
#include <iosfwd>
#include <limits>
#include <cmath>
#include <cassert>

#include "moab/MOABConfig.h"
#include "moab/ErrorHandler.hpp"
#include "moab/Util.hpp"
#include "moab/Types.hpp"
#include "moab/CartVect.hpp"

#ifndef MOAB_HAVE_LAPACK

#ifndef MOAB_HAVE_EIGEN3
#error Need either Eigen3 or BLAS/LAPACK libraries
#endif

#ifdef __GNUC__
// save diagnostic state
#pragma GCC diagnostic push
// turn off the specific warning. Can also use "-Wshadow"
#pragma GCC diagnostic ignored "-Wshadow"
#endif

#define EIGEN_DEFAULT_TO_ROW_MAJOR
#define EIGEN_INITIALIZE_MATRICES_BY_ZERO
// #define EIGEN_NO_STATIC_ASSERT
#include "Eigen/Dense"

#ifdef __GNUC__
// turn the warnings back on
#pragma GCC diagnostic pop
#endif

#else

#if defined( MOAB_FC_FUNC_ )
#define MOAB_FC_WRAPPER MOAB_FC_FUNC_
#elif defined( MOAB_FC_FUNC )
#define MOAB_FC_WRAPPER MOAB_FC_FUNC
#else
#define MOAB_FC_WRAPPER( name, NAME ) name##_
#endif

// We will rely on LAPACK directly

#ifdef WIN32

// Should use second form below for windows but
// needed to do this to make it work.
// TODO: Need to clean this up
#define MOAB_dsyevd MOAB_FC_FUNC( dsyevd, DSYEVD )
#define MOAB_dsyevr MOAB_FC_FUNC( dsyevr, DSYEVR )
#define MOAB_dgeev  MOAB_FC_FUNC( dgeev, DGEEV )
#define MOAB_dgetrf MOAB_FC_FUNC( dgetrf, DGETRF )
#define MOAB_dgetri MOAB_FC_FUNC( dgetri, DGETRI )

#else

#define MOAB_dsyevd MOAB_FC_WRAPPER( dsyevd, DSYEVD )
#define MOAB_dsyevr MOAB_FC_WRAPPER( dsyevr, DSYEVR )
#define MOAB_dgeev  MOAB_FC_WRAPPER( dgeev, DGEEV )
#define MOAB_dgetrf MOAB_FC_WRAPPER( dgetrf, DGETRF )
#define MOAB_dgetri MOAB_FC_WRAPPER( dgetri, DGETRI )

#endif

extern "C" {

// Computes all eigenvalues and, optionally, eigenvectors of a
// real symmetric matrix A. If eigenvectors are desired, it uses a
// divide and conquer algorithm.
void MOAB_dsyevd( char* jobz,
                  char* uplo,
                  int* n,
                  double a[],
                  int* lda,
                  double w[],
                  double work[],
                  int* lwork,
                  int iwork[],
                  int* liwork,
                  int* info );

// Computes selected eigenvalues and, optionally, eigenvectors
// of a real symmetric matrix A.  Eigenvalues and eigenvectors can be
// selected by specifying either a range of values or a range of
// indices for the desired eigenvalues.
void MOAB_dsyevr( char* jobz,
                  char* range,
                  char* uplo,
                  int* n,
                  double* a,
                  int* lda,
                  double* vl,
                  double* vu,
                  int* il,
                  int* iu,
                  double* abstol,
                  int* m,
                  double* w,
                  double* z,
                  int* ldz,
                  int* isuppz,
                  double* work,
                  int* lwork,
                  int* iwork,
                  int* liwork,
                  int* info );

// Computes for an N-by-N real nonsymmetric matrix A, the
// eigenvalues and, optionally, the left and/or right eigenvectors.
void MOAB_dgeev( char* jobvl,
                 char* jobvr,
                 int* n,
                 double* a,
                 int* lda,
                 double* wr,
                 double* wi,
                 double* vl,
                 int* ldvl,
                 double* vr,
                 int* ldvr,
                 double* work,
                 int* lwork,
                 int* info );

// Computes an LU factorization of a general M-by-N matrix A
// using partial pivoting with row interchanges.
void MOAB_dgetrf( int* M, int* N, double* A, int* lda, int* IPIV, int* INFO );

// Computes the inverse of a matrix using the LU factorization
// computed by DGETRF.
void MOAB_dgetri( int* N, double* A, int* lda, int* IPIV, double* WORK, int* lwork, int* INFO );
}

#include <cstring>
#define MOAB_DMEMZERO( a, b ) memset( a, 0, ( b ) * sizeof( double ) )

#endif

namespace moab
{

namespace Matrix
{

    template < typename Matrix >
    inline Matrix mmult3( const Matrix& a, const Matrix& b )
    {
        return Matrix( a( 0, 0 ) * b( 0, 0 ) + a( 0, 1 ) * b( 1, 0 ) + a( 0, 2 ) * b( 2, 0 ),
                       a( 0, 0 ) * b( 0, 1 ) + a( 0, 1 ) * b( 1, 1 ) + a( 0, 2 ) * b( 2, 1 ),
                       a( 0, 0 ) * b( 0, 2 ) + a( 0, 1 ) * b( 1, 2 ) + a( 0, 2 ) * b( 2, 2 ),
                       a( 1, 0 ) * b( 0, 0 ) + a( 1, 1 ) * b( 1, 0 ) + a( 1, 2 ) * b( 2, 0 ),
                       a( 1, 0 ) * b( 0, 1 ) + a( 1, 1 ) * b( 1, 1 ) + a( 1, 2 ) * b( 2, 1 ),
                       a( 1, 0 ) * b( 0, 2 ) + a( 1, 1 ) * b( 1, 2 ) + a( 1, 2 ) * b( 2, 2 ),
                       a( 2, 0 ) * b( 0, 0 ) + a( 2, 1 ) * b( 1, 0 ) + a( 2, 2 ) * b( 2, 0 ),
                       a( 2, 0 ) * b( 0, 1 ) + a( 2, 1 ) * b( 1, 1 ) + a( 2, 2 ) * b( 2, 1 ),
                       a( 2, 0 ) * b( 0, 2 ) + a( 2, 1 ) * b( 1, 2 ) + a( 2, 2 ) * b( 2, 2 ) );
    }

    template < typename Matrix >
    inline const Matrix inverse( const Matrix& d )
    {
        const double det = 1.0 / determinant3( d );
        return inverse( d, det );
    }

    template < typename Vector, typename Matrix >
    inline Vector vector_matrix( const Vector& v, const Matrix& m )
    {
        return Vector( v[0] * m( 0, 0 ) + v[1] * m( 1, 0 ) + v[2] * m( 2, 0 ),
                       v[0] * m( 0, 1 ) + v[1] * m( 1, 1 ) + v[2] * m( 2, 1 ),
                       v[0] * m( 0, 2 ) + v[1] * m( 1, 2 ) + v[2] * m( 2, 2 ) );
    }

    template < typename Vector, typename Matrix >
    inline Vector matrix_vector( const Matrix& m, const Vector& v )
    {
        Vector res = v;
        res[0]     = v[0] * m( 0, 0 ) + v[1] * m( 0, 1 ) + v[2] * m( 0, 2 );
        res[1]     = v[0] * m( 1, 0 ) + v[1] * m( 1, 1 ) + v[2] * m( 1, 2 );
        res[2]     = v[0] * m( 2, 0 ) + v[1] * m( 2, 1 ) + v[2] * m( 2, 2 );
        return res;
    }

}  // namespace Matrix

class Matrix3
{

  public:
    const static int size = 9;

  private:
#ifndef MOAB_HAVE_LAPACK
    Eigen::Matrix3d _mat;
#else
    double _mat[size];
#endif

  public:
    // Default Constructor
    inline Matrix3()
    {
#ifndef MOAB_HAVE_LAPACK
        _mat.fill( 0.0 );
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
#endif
    }

#ifndef MOAB_HAVE_LAPACK
    inline Matrix3( Eigen::Matrix3d mat ) : _mat( mat ) {}
#endif

    // TODO: Deprecate this.
    // Then we can go from three Constructors to one.
    inline Matrix3( double diagonal )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << diagonal, 0.0, 0.0, 0.0, diagonal, 0.0, 0.0, 0.0, diagonal;
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
        _mat[0] = _mat[4] = _mat[8] = diagonal;
#endif
    }

    inline Matrix3( const CartVect& diagonal )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << diagonal[0], 0.0, 0.0, 0.0, diagonal[1], 0.0, 0.0, 0.0, diagonal[2];
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
        _mat[0] = diagonal[0];
        _mat[4] = diagonal[1];
        _mat[8] = diagonal[2];
#endif
    }

    // TODO: not strictly correct as the Matrix3 object
    // is a double d[ 9] so the only valid model of T is
    // double, or any refinement (int, float)
    //*but* it doesn't really matter anything else
    // will fail to compile.
    inline Matrix3( const std::vector< double >& diagonal )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << diagonal[0], 0.0, 0.0, 0.0, diagonal[1], 0.0, 0.0, 0.0, diagonal[2];
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
        _mat[0] = diagonal[0];
        _mat[4] = diagonal[1];
        _mat[8] = diagonal[2];
#endif
    }

    inline Matrix3( double v00,
                    double v01,
                    double v02,
                    double v10,
                    double v11,
                    double v12,
                    double v20,
                    double v21,
                    double v22 )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << v00, v01, v02, v10, v11, v12, v20, v21, v22;
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
        _mat[0] = v00;
        _mat[1] = v01;
        _mat[2] = v02;
        _mat[3] = v10;
        _mat[4] = v11;
        _mat[5] = v12;
        _mat[6] = v20;
        _mat[7] = v21;
        _mat[8] = v22;
#endif
    }

    // Copy constructor
    Matrix3( const Matrix3& f )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat = f._mat;
#else
        memcpy( _mat, f._mat, size * sizeof( double ) );
#endif
    }

    // Weird constructors
    template < typename Vector >
    inline Matrix3( const Vector& row0, const Vector& row1, const Vector& row2, const bool isRow )
    {
#ifndef MOAB_HAVE_LAPACK
        if( isRow )
        {
            _mat << row0[0], row0[1], row0[2], row1[0], row1[1], row1[2], row2[0], row2[1], row2[2];
        }
        else
        {
            _mat << row0[0], row1[0], row2[0], row0[1], row1[1], row2[1], row0[2], row1[2], row2[2];
        }
#else
        MOAB_DMEMZERO( _mat, Matrix3::size );
        if( isRow )
        {
            _mat[0] = row0[0];
            _mat[1] = row0[1];
            _mat[2] = row0[2];
            _mat[3] = row1[0];
            _mat[4] = row1[1];
            _mat[5] = row1[2];
            _mat[6] = row2[0];
            _mat[7] = row2[1];
            _mat[8] = row2[2];
        }
        else
        {
            _mat[0] = row0[0];
            _mat[1] = row1[0];
            _mat[2] = row2[0];
            _mat[3] = row0[1];
            _mat[4] = row1[1];
            _mat[5] = row2[1];
            _mat[6] = row0[2];
            _mat[7] = row1[2];
            _mat[8] = row2[2];
        }
#endif
    }

#ifndef DEPRECATED
#ifdef __GNUC__
#define DEPRECATED __attribute__( ( deprecated ) )
#else
#pragma message( "WARNING: You need to implement DEPRECATED for this compiler" )
#define DEPRECATED
#endif
#endif

    /*
     * \deprecated { Use instead the constructor with explicit fourth argument, bool isRow, above }
     *
     */
    inline Matrix3( const double v[size] )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << v[0], v[1], v[2], v[3], v[4], v[5], v[6], v[7], v[8];
#else
        memcpy( _mat, v, size * sizeof( double ) );
#endif
    }

    inline void copyto( double v[Matrix3::size] )
    {
#ifndef MOAB_HAVE_LAPACK
        std::copy( _mat.data(), _mat.data() + size, v );
#else
        memcpy( v, _mat, size * sizeof( double ) );
#endif
    }

    inline Matrix3& operator=( const Matrix3& m )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat = m._mat;
#else
        memcpy( _mat, m._mat, size * sizeof( double ) );
#endif
        return *this;
    }

    inline Matrix3& operator=( const double v[size] )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat << v[0], v[1], v[2], v[3], v[4], v[5], v[6], v[7], v[8];
#else
        memcpy( _mat, v, size * sizeof( double ) );
#endif
        return *this;
    }

    inline double* operator[]( unsigned i )
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat.row( i ).data();
#else
        return &_mat[i * 3];  // Row Major
#endif
    }

    inline const double* operator[]( unsigned i ) const
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat.row( i ).data();
#else
        return &_mat[i * 3];
#endif
    }

    inline double& operator()( unsigned r, unsigned c )
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat( r, c );
#else
        return _mat[r * 3 + c];
#endif
    }

    inline double operator()( unsigned r, unsigned c ) const
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat( r, c );
#else
        return _mat[r * 3 + c];
#endif
    }

    inline double& operator()( unsigned i )
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat( i );
#else
        return _mat[i];
#endif
    }

    inline double operator()( unsigned i ) const
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat( i );
#else
        return _mat[i];
#endif
    }

    // get pointer to array of nine doubles
    inline double* array()
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat.data();
#else
        return _mat;
#endif
    }

    inline const double* array() const
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat.data();
#else
        return _mat;
#endif
    }

    inline Matrix3& operator+=( const Matrix3& m )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat += m._mat;
#else
        for( int i = 0; i < Matrix3::size; ++i )
            _mat[i] += m._mat[i];
#endif
        return *this;
    }

    inline Matrix3& operator-=( const Matrix3& m )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat -= m._mat;
#else
        for( int i = 0; i < Matrix3::size; ++i )
            _mat[i] -= m._mat[i];
#endif
        return *this;
    }

    inline Matrix3& operator*=( double s )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat *= s;
#else
        for( int i = 0; i < Matrix3::size; ++i )
            _mat[i] *= s;
#endif
        return *this;
    }

    inline Matrix3& operator/=( double s )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat /= s;
#else
        for( int i = 0; i < Matrix3::size; ++i )
            _mat[i] /= s;
#endif
        return *this;
    }

    inline Matrix3& operator*=( const Matrix3& m )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat *= m._mat;
#else
        // Uncomment below if you want point-wise multiplication instead (.*)
        // for (int i=0; i < Matrix3::size; ++i) _mat[i] *= m._mat[i];
        std::vector< double > dmat;
        dmat.assign( _mat, _mat + size );
        _mat[0] = dmat[0] * m._mat[0] + dmat[1] * m._mat[3] + dmat[2] * m._mat[6];
        _mat[1] = dmat[0] * m._mat[1] + dmat[1] * m._mat[4] + dmat[2] * m._mat[7];
        _mat[2] = dmat[0] * m._mat[2] + dmat[1] * m._mat[5] + dmat[2] * m._mat[8];
        _mat[3] = dmat[3] * m._mat[0] + dmat[4] * m._mat[3] + dmat[5] * m._mat[6];
        _mat[4] = dmat[3] * m._mat[1] + dmat[4] * m._mat[4] + dmat[5] * m._mat[7];
        _mat[5] = dmat[3] * m._mat[2] + dmat[4] * m._mat[5] + dmat[5] * m._mat[8];
        _mat[6] = dmat[6] * m._mat[0] + dmat[7] * m._mat[3] + dmat[8] * m._mat[6];
        _mat[7] = dmat[6] * m._mat[1] + dmat[7] * m._mat[4] + dmat[8] * m._mat[7];
        _mat[8] = dmat[6] * m._mat[2] + dmat[7] * m._mat[5] + dmat[8] * m._mat[8];
#endif
        return *this;
    }

    inline bool is_symmetric()
    {
        const double EPS = 1e-13;
#ifndef MOAB_HAVE_LAPACK
        if( ( fabs( _mat( 1 ) - _mat( 3 ) ) < EPS ) && ( fabs( _mat( 2 ) - _mat( 6 ) ) < EPS ) &&
            ( fabs( _mat( 5 ) - _mat( 7 ) ) < EPS ) )
            return true;
#else
        if( ( fabs( _mat[1] - _mat[3] ) < EPS ) && ( fabs( _mat[2] - _mat[6] ) < EPS ) &&
            ( fabs( _mat[5] - _mat[7] ) < EPS ) )
            return true;
#endif
        else
            return false;
    }

    inline bool is_positive_definite()
    {
#ifndef MOAB_HAVE_LAPACK
        double subdet6 = _mat( 1 ) * _mat( 5 ) - _mat( 2 ) * _mat( 4 );
        double subdet7 = _mat( 2 ) * _mat( 3 ) - _mat( 0 ) * _mat( 5 );
        double subdet8 = _mat( 0 ) * _mat( 4 ) - _mat( 1 ) * _mat( 3 );
        // Determinant:= d(6)*subdet6 + d(7)*subdet7 + d(8)*subdet8;
        const double det = _mat( 6 ) * subdet6 + _mat( 7 ) * subdet7 + _mat( 8 ) * subdet8;
        return _mat( 0 ) > 0 && subdet8 > 0 && det > 0;
#else
        double subdet6 = _mat[1] * _mat[5] - _mat[2] * _mat[4];
        double subdet7 = _mat[2] * _mat[3] - _mat[0] * _mat[5];
        double subdet8 = _mat[0] * _mat[4] - _mat[1] * _mat[3];
        // Determinant:= d(6)*subdet6 + d(7)*subdet7 + d(8)*subdet8;
        const double det = _mat[6] * subdet6 + _mat[7] * subdet7 + _mat[8] * subdet8;
        return _mat[0] > 0 && subdet8 > 0 && det > 0;
#endif
    }

    template < typename Vector >
    inline ErrorCode eigen_decomposition( Vector& evals, Matrix3& evecs )
    {
        const bool bisSymmetric = this->is_symmetric();
#ifndef MOAB_HAVE_LAPACK
        if( bisSymmetric )
        {
            Eigen::SelfAdjointEigenSolver< Eigen::Matrix3d > eigensolver( this->_mat );
            if( eigensolver.info() != Eigen::Success ) return MB_FAILURE;
            const Eigen::SelfAdjointEigenSolver< Eigen::Matrix3d >::RealVectorType& e3evals = eigensolver.eigenvalues();
            evals[0]                                                                        = e3evals( 0 );
            evals[1]                                                                        = e3evals( 1 );
            evals[2]                                                                        = e3evals( 2 );
            evecs._mat = eigensolver.eigenvectors();  //.col(1)
            return MB_SUCCESS;
        }
        else
        {
            MB_CHK_SET_ERR( MB_FAILURE, "Unsymmetric matrix implementation with Eigen3 is currently not provided." );
            // Eigen::EigenSolver<Eigen::Matrix3d> eigensolver(this->_mat, true);
            // if (eigensolver.info() != Eigen::Success)
            //   return MB_FAILURE;
            // const Eigen::EigenSolver<Eigen::Matrix3d>::EigenvalueType& e3evals =
            // eigensolver.eigenvalues().real(); evals[0] = e3evals(0); evals[1] = e3evals(1);
            // evals[2] = e3evals(2); evecs._mat = eigensolver.eigenvectors().real(); //.col(1)
            // return MB_SUCCESS;
        }
#else
        int info;
        /* Solve eigenproblem */
        double devreal[3], drevecs[9];
        if( !bisSymmetric )
        {
            double devimag[3], dlevecs[9], dwork[102];
            char dgeev_opts[2] = { 'N', 'V' };
            int N = 3, LWORK = 102, NL = 1, NR = N;
            std::vector< double > devmat;
            devmat.assign( _mat, _mat + size );
            MOAB_dgeev( &dgeev_opts[0], &dgeev_opts[1], &N, &devmat[0], &N, devreal, devimag, dlevecs, &NL, drevecs,
                        &NR, dwork, &LWORK, &info );
            // The result eigenvalues are ordered as high-->low
            evals[0]      = devreal[2];
            evals[1]      = devreal[1];
            evals[2]      = devreal[0];
            evecs._mat[0] = drevecs[6];
            evecs._mat[1] = drevecs[3];
            evecs._mat[2] = drevecs[0];
            evecs._mat[3] = drevecs[7];
            evecs._mat[4] = drevecs[4];
            evecs._mat[5] = drevecs[1];
            evecs._mat[6] = drevecs[8];
            evecs._mat[7] = drevecs[5];
            evecs._mat[8] = drevecs[2];
            std::cout << "DGEEV: Optimal work vector: dsize = " << dwork[0] << ".\n";
        }
        else
        {
            char dgeev_opts[2]      = { 'V', 'L' };
            const bool find_optimal = false;
            std::vector< int > iwork( 18 );
            std::vector< double > devmat( 9, 0.0 );
            std::vector< double > dwork( 38 );
            int N = 3, lwork = 38, liwork = 18;
            devmat[0] = _mat[0];
            devmat[1] = _mat[1];
            devmat[2] = _mat[2];
            devmat[4] = _mat[4];
            devmat[5] = _mat[5];
            devmat[8] = _mat[8];
            if( find_optimal )
            {
                int _lwork             = -1;
                int _liwork            = -1;
                double query_work_size = 0;
                int query_iwork_size   = 0;
                // Make an empty call to find the optimal work vector size
                MOAB_dsyevd( &dgeev_opts[0], &dgeev_opts[1], &N, NULL, &N, NULL, &query_work_size, &_lwork,
                             &query_iwork_size, &_liwork, &info );
                lwork = (int)query_work_size;
                dwork.resize( lwork );
                liwork = query_iwork_size;
                iwork.resize( liwork );
                std::cout << "DSYEVD: Optimal work vector: dsize = " << lwork << ", and isize = " << liwork << ".\n";
            }

            MOAB_dsyevd( &dgeev_opts[0], &dgeev_opts[1], &N, &devmat[0], &N, devreal, &dwork[0], &lwork, &iwork[0],
                         &liwork, &info );
            for( int i = 0; i < 9; ++i )
                drevecs[i] = devmat[i];
            // The result eigenvalues are ordered as low-->high, but vectors are in rows of A.
            evals[0]      = devreal[0];
            evals[1]      = devreal[1];
            evals[2]      = devreal[2];
            evecs._mat[0] = drevecs[0];
            evecs._mat[3] = drevecs[1];
            evecs._mat[6] = drevecs[2];
            evecs._mat[1] = drevecs[3];
            evecs._mat[4] = drevecs[4];
            evecs._mat[7] = drevecs[5];
            evecs._mat[2] = drevecs[6];
            evecs._mat[5] = drevecs[7];
            evecs._mat[8] = drevecs[8];
        }

        if( !info )
        {
            return MB_SUCCESS;
        }
        else
        {
            std::cout << "Failure in LAPACK_" << ( bisSymmetric ? "DSYEVD" : "DGEEV" )
                      << " call for eigen decomposition.\n";
            std::cout << "Failed with error = " << info << ".\n";
            return MB_FAILURE;
        }
#endif
    }

    inline void transpose_inplace()
    {
#ifndef MOAB_HAVE_LAPACK
        _mat.transposeInPlace();
#else
        Matrix3 mtmp( *this );
        _mat[1] = mtmp._mat[3];
        _mat[3] = mtmp._mat[1];
        _mat[2] = mtmp._mat[6];
        _mat[6] = mtmp._mat[2];
        _mat[5] = mtmp._mat[7];
        _mat[7] = mtmp._mat[5];
#endif
    }

    inline Matrix3 transpose() const
    {
#ifndef MOAB_HAVE_LAPACK
        return Matrix3( _mat.transpose() );
#else
        Matrix3 mtmp( *this );
        mtmp._mat[1] = _mat[3];
        mtmp._mat[3] = _mat[1];
        mtmp._mat[2] = _mat[6];
        mtmp._mat[6] = _mat[2];
        mtmp._mat[5] = _mat[7];
        mtmp._mat[7] = _mat[5];
        return mtmp;
#endif
    }

    template < typename Vector >
    inline void copycol( int index, Vector& vol )
    {
#ifndef MOAB_HAVE_LAPACK
        _mat.col( index ).swap( vol );
#else
        switch( index )
        {
            case 0:
                _mat[0] = vol[0];
                _mat[3] = vol[1];
                _mat[6] = vol[2];
                break;
            case 1:
                _mat[1] = vol[0];
                _mat[4] = vol[1];
                _mat[7] = vol[2];
                break;
            case 2:
                _mat[2] = vol[0];
                _mat[5] = vol[1];
                _mat[8] = vol[2];
                break;
        }
#endif
    }

    inline void swapcol( int srcindex, int destindex )
    {
        assert( srcindex < Matrix3::size );
        assert( destindex < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        _mat.col( srcindex ).swap( _mat.col( destindex ) );
#else
        CartVect svol = this->vcol< CartVect >( srcindex );
        CartVect dvol = this->vcol< CartVect >( destindex );
        switch( srcindex )
        {
            case 0:
                _mat[0] = dvol[0];
                _mat[3] = dvol[1];
                _mat[6] = dvol[2];
                break;
            case 1:
                _mat[1] = dvol[0];
                _mat[4] = dvol[1];
                _mat[7] = dvol[2];
                break;
            case 2:
                _mat[2] = dvol[0];
                _mat[5] = dvol[1];
                _mat[8] = dvol[2];
                break;
        }
        switch( destindex )
        {
            case 0:
                _mat[0] = svol[0];
                _mat[3] = svol[1];
                _mat[6] = svol[2];
                break;
            case 1:
                _mat[1] = svol[0];
                _mat[4] = svol[1];
                _mat[7] = svol[2];
                break;
            case 2:
                _mat[2] = svol[0];
                _mat[5] = svol[1];
                _mat[8] = svol[2];
                break;
        }
#endif
    }

    template < typename Vector >
    inline Vector vcol( int index ) const
    {
        assert( index < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        return _mat.col( index );
#else
        switch( index )
        {
            case 0:
                return Vector( _mat[0], _mat[3], _mat[6] );
            case 1:
                return Vector( _mat[1], _mat[4], _mat[7] );
            case 2:
                return Vector( _mat[2], _mat[5], _mat[8] );
        }
        return Vector( 0.0 );
#endif
    }

    inline void colscale( int index, double scale )
    {
        assert( index < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        _mat.col( index ) *= scale;
#else
        switch( index )
        {
            case 0:
                _mat[0] *= scale;
                _mat[3] *= scale;
                _mat[6] *= scale;
                break;
            case 1:
                _mat[1] *= scale;
                _mat[4] *= scale;
                _mat[7] *= scale;
                break;
            case 2:
                _mat[2] *= scale;
                _mat[5] *= scale;
                _mat[8] *= scale;
                break;
        }
#endif
    }

    inline void rowscale( int index, double scale )
    {
        assert( index < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        _mat.row( index ) *= scale;
#else
        switch( index )
        {
            case 0:
                _mat[0] *= scale;
                _mat[1] *= scale;
                _mat[2] *= scale;
                break;
            case 1:
                _mat[3] *= scale;
                _mat[4] *= scale;
                _mat[5] *= scale;
                break;
            case 2:
                _mat[6] *= scale;
                _mat[7] *= scale;
                _mat[8] *= scale;
                break;
        }
#endif
    }

    inline CartVect col( int index ) const
    {
        assert( index < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        Eigen::Vector3d mvec = _mat.col( index );
        return CartVect( mvec[0], mvec[1], mvec[2] );
#else
        switch( index )
        {
            case 0:
                return CartVect( _mat[0], _mat[3], _mat[6] );
            case 1:
                return CartVect( _mat[1], _mat[4], _mat[7] );
            case 2:
                return CartVect( _mat[2], _mat[5], _mat[8] );
        }
        return CartVect( 0.0 );
#endif
    }

    inline CartVect row( int index ) const
    {
        assert( index < Matrix3::size );
#ifndef MOAB_HAVE_LAPACK
        Eigen::Vector3d mvec = _mat.row( index );
        return CartVect( mvec[0], mvec[1], mvec[2] );
#else
        switch( index )
        {
            case 0:
                return CartVect( _mat[0], _mat[1], _mat[2] );
            case 1:
                return CartVect( _mat[3], _mat[4], _mat[5] );
            case 2:
                return CartVect( _mat[6], _mat[7], _mat[8] );
        }
        return CartVect( 0.0 );
#endif
    }

    friend Matrix3 operator+( const Matrix3& a, const Matrix3& b );
    friend Matrix3 operator-( const Matrix3& a, const Matrix3& b );
    friend Matrix3 operator*( const Matrix3& a, const Matrix3& b );

    inline double determinant() const
    {
#ifndef MOAB_HAVE_LAPACK
        return _mat.determinant();
#else
        return ( _mat[0] * _mat[4] * _mat[8] + _mat[1] * _mat[5] * _mat[6] + _mat[2] * _mat[3] * _mat[7] -
                 _mat[0] * _mat[5] * _mat[7] - _mat[1] * _mat[3] * _mat[8] - _mat[2] * _mat[4] * _mat[6] );
#endif
    }

    inline Matrix3 inverse() const
    {
#ifndef MOAB_HAVE_LAPACK
        return Matrix3( _mat.inverse() );
#else
        // return Matrix::compute_inverse( *this, this->determinant() );
        Matrix3 m( 0.0 );
        const double d_determinant = 1.0 / this->determinant();
        m._mat[0]                  = d_determinant * ( _mat[4] * _mat[8] - _mat[5] * _mat[7] );
        m._mat[1]                  = d_determinant * ( _mat[2] * _mat[7] - _mat[8] * _mat[1] );
        m._mat[2]                  = d_determinant * ( _mat[1] * _mat[5] - _mat[4] * _mat[2] );
        m._mat[3]                  = d_determinant * ( _mat[5] * _mat[6] - _mat[8] * _mat[3] );
        m._mat[4]                  = d_determinant * ( _mat[0] * _mat[8] - _mat[6] * _mat[2] );
        m._mat[5]                  = d_determinant * ( _mat[2] * _mat[3] - _mat[5] * _mat[0] );
        m._mat[6]                  = d_determinant * ( _mat[3] * _mat[7] - _mat[6] * _mat[4] );
        m._mat[7]                  = d_determinant * ( _mat[1] * _mat[6] - _mat[7] * _mat[0] );
        m._mat[8]                  = d_determinant * ( _mat[0] * _mat[4] - _mat[3] * _mat[1] );
        return m;
#endif
    }

    inline bool invert()
    {
        bool invertible = false;
        double d_determinant;
#ifndef MOAB_HAVE_LAPACK
        Eigen::Matrix3d invMat;
        _mat.computeInverseAndDetWithCheck( invMat, d_determinant, invertible );
        if( !Util::is_finite( d_determinant ) ) return false;
        _mat = invMat;
        return invertible;
#else
        d_determinant = this->determinant();
        if( d_determinant > 1e-13 ) invertible = true;
        d_determinant = 1.0 / d_determinant;  // invert the determinant
        std::vector< double > _m;
        _m.assign( _mat, _mat + size );
        _mat[0]      = d_determinant * ( _m[4] * _m[8] - _m[5] * _m[7] );
        _mat[1]      = d_determinant * ( _m[2] * _m[7] - _m[8] * _m[1] );
        _mat[2]      = d_determinant * ( _m[1] * _m[5] - _m[4] * _m[2] );
        _mat[3]      = d_determinant * ( _m[5] * _m[6] - _m[8] * _m[3] );
        _mat[4]      = d_determinant * ( _m[0] * _m[8] - _m[6] * _m[2] );
        _mat[5]      = d_determinant * ( _m[2] * _m[3] - _m[5] * _m[0] );
        _mat[6]      = d_determinant * ( _m[3] * _m[7] - _m[6] * _m[4] );
        _mat[7]      = d_determinant * ( _m[1] * _m[6] - _m[7] * _m[0] );
        _mat[8]      = d_determinant * ( _m[0] * _m[4] - _m[3] * _m[1] );
#endif
        return invertible;
    }

    // Calculate determinant of 2x2 submatrix composed of the
    // elements not in the passed row or column.
    inline double subdet( int r, int c ) const
    {
        assert( r >= 0 && c >= 0 );
        if( r < 0 || c < 0 ) return DBL_MAX;
#ifndef MOAB_HAVE_LAPACK
        const int r1 = ( r + 1 ) % 3, r2 = ( r + 2 ) % 3;
        const int c1 = ( c + 1 ) % 3, c2 = ( c + 2 ) % 3;
        return _mat( r1, c1 ) * _mat( r2, c2 ) - _mat( r1, c2 ) * _mat( r2, c1 );
#else
        const int r1 = Matrix3::size * ( ( r + 1 ) % 3 ), r2 = Matrix3::size * ( ( r + 2 ) % 3 );
        const int c1 = ( c + 1 ) % 3, c2 = ( c + 2 ) % 3;
        return _mat[r1 + c1] * _mat[r2 + c2] - _mat[r1 + c2] * _mat[r2 + c1];
#endif
    }

    inline void print( std::ostream& s ) const
    {
#ifndef MOAB_HAVE_LAPACK
        s << "| " << _mat( 0 ) << " " << _mat( 1 ) << " " << _mat( 2 ) << " | " << _mat( 3 ) << " " << _mat( 4 ) << " "
          << _mat( 5 ) << " | " << _mat( 6 ) << " " << _mat( 7 ) << " " << _mat( 8 ) << " |";
#else
        s << "| " << _mat[0] << " " << _mat[1] << " " << _mat[2] << " | " << _mat[3] << " " << _mat[4] << " " << _mat[5]
          << " | " << _mat[6] << " " << _mat[7] << " " << _mat[8] << " |";
#endif
    }

};  // class Matrix3

template < typename Vector >
inline Matrix3 outer_product( const Vector& u, const Vector& v )
{
    return Matrix3( u[0] * v[0], u[0] * v[1], u[0] * v[2], u[1] * v[0], u[1] * v[1], u[1] * v[2], u[2] * v[0],
                    u[2] * v[1], u[2] * v[2] );
}

inline Matrix3 operator+( const Matrix3& a, const Matrix3& b )
{
#ifndef MOAB_HAVE_LAPACK
    return Matrix3( a._mat + b._mat );
#else
    Matrix3 s( a );
    for( int i = 0; i < Matrix3::size; ++i )
        s( i ) += b._mat[i];
    return s;
#endif
}

inline Matrix3 operator-( const Matrix3& a, const Matrix3& b )
{
#ifndef MOAB_HAVE_LAPACK
    return Matrix3( a._mat - b._mat );
#else
    Matrix3 s( a );
    for( int i = 0; i < Matrix3::size; ++i )
        s( i ) -= b._mat[i];
    return s;
#endif
}

inline Matrix3 operator*( const Matrix3& a, const Matrix3& b )
{
#ifndef MOAB_HAVE_LAPACK
    return Matrix3( a._mat * b._mat );
#else
    return Matrix::mmult3( a, b );
#endif
}

template < typename T >
inline std::vector< T > operator*( const Matrix3& m, const std::vector< T >& v )
{
    return moab::Matrix::matrix_vector( m, v );
}

template < typename T >
inline std::vector< T > operator*( const std::vector< T >& v, const Matrix3& m )
{
    return moab::Matrix::vector_matrix( v, m );
}

inline CartVect operator*( const Matrix3& m, const CartVect& v )
{
    return moab::Matrix::matrix_vector( m, v );
}

inline CartVect operator*( const CartVect& v, const Matrix3& m )
{
    return moab::Matrix::vector_matrix( v, m );
}

}  // namespace moab

#ifdef MOAB_HAVE_LAPACK
#undef MOAB_DMEMZERO
#endif

#ifndef MOAB_MATRIX3_OPERATORLESS
#define MOAB_MATRIX3_OPERATORLESS
inline std::ostream& operator<<( std::ostream& s, const moab::Matrix3& m )
{
    return s << "| " << m( 0, 0 ) << " " << m( 0, 1 ) << " " << m( 0, 2 ) << " | " << m( 1, 0 ) << " " << m( 1, 1 )
             << " " << m( 1, 2 ) << " | " << m( 2, 0 ) << " " << m( 2, 1 ) << " " << m( 2, 2 ) << " |";
}
#endif  // MOAB_MATRIX3_OPERATORLESS
#endif  // MOAB_MATRIX3_HPP