angle.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 angle.c
 *
 *  Implementation of \ref angle.h
 */
#include "angle.h"

#ifdef BOND_ANGLE_OLD
#include "communication.h"

/** set parameters for the angle potential.

    \todo The type of the angle potential
    is chosen via config.h and cannot be changed at runtime.
*/
int angle_set_params(int bond_type, double bend, double phi0)
{
  if(bond_type < 0)
    return ES_ERROR;

  make_bond_type_exist(bond_type);

  bonded_ia_params[bond_type].p.angle.bend = bend;
  bonded_ia_params[bond_type].p.angle.phi0 = phi0;
#ifdef BOND_ANGLE_COSINE
  bonded_ia_params[bond_type].p.angle.cos_phi0 = cos(phi0);
  bonded_ia_params[bond_type].p.angle.sin_phi0 = sin(phi0);
#endif
#ifdef BOND_ANGLE_COSSQUARE
  bonded_ia_params[bond_type].p.angle.cos_phi0 = cos(phi0);
#endif
  bonded_ia_params[bond_type].type = BONDED_IA_ANGLE_OLD;
  bonded_ia_params[bond_type].num = 2;
 
  /* broadcast interaction parameters */
  mpi_bcast_ia_params(bond_type, -1); 

  return ES_OK;
}

#endif