createTestMatrix.h

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2022 QMCPACK developers.
//
// File developed by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
//
// File created by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
//////////////////////////////////////////////////////////////////////////////////////

#ifndef QMCPLUSPLUS_CREATETESTMATRIX_H
#define QMCPLUSPLUS_CREATETESTMATRIX_H

// Create matrices and their inverses for testing matrix inversion code
// Matrix values are from gen_inverse.py

#include <algorithm>

namespace qmcplusplus
{

// Create an identity matrix.
// Assumes matrix is square (or at least the number of rows >= number of columns)
template<typename T>
void fillIdentityMatrix(Matrix<T>& m)
{
  std::fill(m.begin(), m.end(), T(0));
  for (int i = 0; i < m.cols(); i++)
    m(i, i) = 1.0;
}


// Inverse test 1
// Assumes input matrix is 3x3
struct TestMatrix1
{
  template<typename T>
  static void fillInput(Matrix<T>& a)
  {
    a(0, 0) = 2.3;
    a(0, 1) = 4.5;
    a(0, 2) = 2.6;
    a(1, 0) = 0.5;
    a(1, 1) = 8.5;
    a(1, 2) = 3.3;
    a(2, 0) = 1.8;
    a(2, 1) = 4.4;
    a(2, 2) = 4.9;
  }

  // Inverse of test matrix 1
  template<typename T>
  static void fillInverse(Matrix<T>& b)
  {
    b(0, 0) = 0.6159749342;
    b(0, 1) = -0.2408954682;
    b(0, 2) = -0.1646081192;
    b(1, 0) = 0.07923894288;
    b(1, 1) = 0.1496231042;
    b(1, 2) = -0.1428117337;
    b(2, 0) = -0.2974298429;
    b(2, 1) = -0.04586322768;
    b(2, 2) = 0.3927890292;
  }

  // Log of determinant of test matrix 1
  inline static double logDet() { return 3.78518913425; }
};

} // namespace qmcplusplus
#endif