Workspaces.cpp

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
// This code was originally translated from Fortran code on
// https://ccpforge.cse.rl.ac.uk/gf/project/ral_nlls June 2016
#include "MantidCurveFitting/RalNlls/Workspaces.h"
 
namespace Mantid::CurveFitting::NLLS {
 
NLLS_workspace::NLLS_workspace()
    : first_call(0), iter(0), normF0(), normJF0(), normF(), normJF(), normJFold(), normJF_Newton(), Delta(), normd(),
      use_second_derivatives(false), hybrid_count(0), hybrid_tol(1.0), tr_p(7) {}
 
void NLLS_workspace::initialize(int n, int m, const nlls_options &options) {
 
  tr_nu = options.radius_increase;
 
  J.allocate(m, n);
  f.allocate(m);
  fnew.allocate(m);
  hf.allocate(n, n);
  d.allocate(n);
  g.allocate(n);
  Xnew.allocate(n);
  y.allocate(n);
  y.zero();
  y_sharp.allocate(n);
  y_sharp.zero();
 
  if (!options.exact_second_derivatives) {
    g_old.allocate(n);
    g_mixed.allocate(n);
    Sks.allocate(n);
    ysharpSks.allocate(n);
  }
 
  if (options.output_progress_vectors) {
    resvec.allocate(options.maxit + 1);
    gradvec.allocate(options.maxit + 1);
  }
 
  if (options.calculate_svd_J) {
    largest_sv.allocate(options.maxit + 1);
    smallest_sv.allocate(options.maxit + 1);
  }
 
  if (options.model == 3) {
    hf_temp.allocate(n, n);
  }
}
 
} // namespace Mantid::CurveFitting::NLLS