reaction_field.c

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/*
  Copyright (C) 2010,2011,2012,2013 The ESPResSo project
  Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 
    Max-Planck-Institute for Polymer Research, Theory Group
  
  This file is part of ESPResSo.
  
  ESPResSo is free software: you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 3 of the License, or
  (at your option) any later version.
  
  ESPResSo is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  GNU General Public License for more details.
  
  You should have received a copy of the GNU General Public License
  along with this program.  If not, see <http://www.gnu.org/licenses/>. 
*/
/** \file reaction_field.c
 *
 *  Implementation of \ref reaction_field.h
 */
#include "reaction_field.h"

#ifdef ELECTROSTATICS
#include "communication.h"

int rf_set_params(double kappa,double epsilon1,double epsilon2, double r_cut)
{
  rf_params.kappa = kappa;
  rf_params.epsilon1 = epsilon1;
  rf_params.epsilon2 = epsilon2;
  rf_params.r_cut = r_cut;
  rf_params.B =(2*(epsilon1-epsilon2)*(1+kappa*r_cut)-epsilon2*kappa*kappa*r_cut*r_cut)/((epsilon1+2*epsilon2)*(1+kappa*r_cut)+epsilon2*kappa*kappa*r_cut*r_cut);
  if(rf_params.epsilon1 < 0.0)
    return -1;

  if(rf_params.epsilon2 < 0.0)
    return -1;

  if(rf_params.r_cut < 0.0)
    return -2;

  mpi_bcast_coulomb_params();

  return 1;
}

#ifdef INTER_RF

int interrf_set_params(int part_type_a, int part_type_b,int rf_on)
{
  IA_parameters *data = get_ia_param_safe(part_type_a, part_type_b);

  if (!data) return ES_ERROR;

  data->rf_on = rf_on;

  /* broadcast interaction parameters */
  mpi_bcast_ia_params(part_type_a, part_type_b);

  return ES_OK;
}

#endif

#endif