Potentiel_Binaire.cpp

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#include <Potentiel_Binaire.h>
#include <Fermeture_Thermo_base.h>
 
Implemente_instanciable(Potentiel_Binaire, "Binaire|Binary", Potentiel_Chimique_base);
 
Sortie& Potentiel_Binaire::printOn(Sortie& os) const
{
  os << que_suis_je() << finl;
  os << "nb_parametres " << nb_parametres_d_ordre_ << finl;
  os << "xEq_phase1 " << eq1_ << finl;
  os << "xEq_phase2 " << eq2_ << finl;
  return Potentiel_Chimique_base::printOn(os);
}
 
Entree& Potentiel_Binaire::readOn(Entree& is)
{
  Cerr << "Reading parameters of potential " << que_suis_je() << " ..." << finl;
 
  Param param(que_suis_je());
 
  param.ajouter("nb_parametres", &nb_parametres_d_ordre_, Param::REQUIRED);
  param.ajouter_non_std("xEq_phase1",(this),Param::REQUIRED);
  param.ajouter_non_std("xEq_phase2",(this),Param::REQUIRED);
 
  param.lire_avec_accolades_depuis(is);
 
  return is;
}
 
int Potentiel_Binaire::lire_motcle_non_standard(const Motcle& mot, Entree& is)
{
  Motcle motlu;
  if (mot == "xEq_phase1")
    {
      Cerr << "First phase::" << finl;
      assert(nb_parametres_d_ordre_ > -1);
      eq1_.resize(nb_parametres_d_ordre_);
      for (int i = 0; i < nb_parametres_d_ordre_; i++)
        is >> eq1_(i);
      return 1;
    }
  else if   (mot == "xEq_phase2")
    {
      Cerr << "Second phase::" << finl;
      assert(nb_parametres_d_ordre_ > -1);
      eq2_.resize(nb_parametres_d_ordre_);
      for (int i = 0; i < nb_parametres_d_ordre_; i++)
        is >> eq2_(i);
      return 1;
    }
  else
    {
      Cerr << "Potentiel_Binaire::lire_motcle_non_standard -- Bad key word." << finl;
      exit();
      return -1;
    }
}
 
 
 
DoubleTab Potentiel_Binaire::dWdc(const DoubleTab& c)
{
  dWdc_ = c; // Copie de structure
  dWdc_ = 0;
 
//  Cerr << "Potentiel_Binaire::dWdc -- Creating a binary potential..." << finl;
  for (int i = 0; i < c.dimension(0); i++) // Dimension du domaine
    for (int j = 0; j < c.line_size(); j++) // Nombre de phases
      dWdc_(i, j) = 2 * (c(i, j) - eq1_(j)) * (c(i, j) - eq2_(j)) * (2 * c(i, j) - eq1_(j) - eq2_(j));
 
  return dWdc_;
}