fcs_memd_p.h

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/*
  Copyright (C) 2011-2012 Rene Halver

  This file is part of ScaFaCoS.

  ScaFaCoS is free software: you can redistribute it and/or modify
  it under the terms of the GNU Lesser Public License as published by
  the Free Software Foundation, either version 3 of the License, or
  (at your option) any later version.

  ScaFaCoS 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 Lesser Public License for more details.

  You should have received a copy of the GNU Lesser Public License
  along with this program.  If not, see <http://www.gnu.org/licenses/>. 
*/



#ifndef FCS_MEMD_P_INCLUDED
#define FCS_MEMD_P_INCLUDED

#include "fcs_definitions.h"
#include "fcs_result_p.h"
#include "fcs_interface_p.h"

typedef struct fcs_memd_parameters_t *fcs_memd_parameters;

FCSResult fcs_memd_setup(FCS handle,
                         fcs_float box_size,
                         fcs_float timestep,
                         fcs_int local_number_of_particles,
                         fcs_int mesh_size,
                         fcs_float lightspeed,
                         fcs_float temperature,
                         fcs_float permittivity
                         );

FCSResult fcs_fcs_memd_set_box_size(FCS handle, fcs_float length_x, fcs_float length_y, fcs_float length_z);
FCSResult fcs_fcs_memd_set_time_step(FCS handle, fcs_float timestep);
FCSResult fcs_fcs_memd_set_total_number_of_particles(FCS handle, fcs_int number_of_particles);
FCSResult fcs_fcs_memd_set_local_number_of_particles(FCS handle, fcs_int number_of_particles);

FCSResult fcs_fcs_memd_set_init_flag(FCS handle, fcs_int flagvalue);

FCSResult fcs_fcs_memd_set_mesh_size_1D(FCS handle, fcs_int mesh_size);
FCSResult fcs_fcs_memd_set_speed_of_light(FCS handle, fcs_float lightspeed);

FCSResult fcs_fcs_memd_set_permittivity(FCS handle, fcs_float epsilon);
FCSResult fcs_fcs_memd_set_temperature(FCS handle, fcs_float temperature);
FCSResult fcs_fcs_memd_set_bjerrum_length(FCS handle, fcs_float bjerrum);


#endif