fcs_interface_p.h

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/*
  Copyright (C) 2011, 2012, 2013 Rene Halver, Olaf Lenz, Michael Hofmann

  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_INTERFACE_P_INCLUDED
#define FCS_INTERFACE_P_INCLUDED

#include <mpi.h>

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


#ifdef __cplusplus
extern "C" {
#endif


typedef struct _FCS_t *FCS;

#define FCS_NULL  NULL

FCSResult fcs_init(FCS *new_handle, const char* method_name, MPI_Comm communicator);

FCSResult fcs_destroy(FCS handle);

fcs_int fcs_get_method(FCS handle);

const char *fcs_get_method_name(FCS handle);

MPI_Comm fcs_get_communicator(FCS handle);

FCSResult 
fcs_set_common(FCS handle, fcs_int near_field_flag, 
               const fcs_float *box_a, const fcs_float *box_b, const fcs_float *box_c, 
               const fcs_float *box_origin, 
               const fcs_int *periodicity, fcs_int total_particles);

FCSResult fcs_set_dimensions(FCS handle, fcs_int dim);

fcs_int fcs_get_dimensions(FCS handle);

FCSResult fcs_set_near_field_flag(FCS handle, fcs_int near_field_flag);

fcs_int fcs_get_near_field_flag(FCS handle);
FCSResult fcs_set_redistribute(FCS handle, fcs_int redistribute);

fcs_int fcs_get_redistribute(FCS handle);

FCSResult fcs_set_box_a(FCS handle, const fcs_float *box_a);

const fcs_float *fcs_get_box_a(FCS handle);

FCSResult fcs_set_box_b(FCS handle, const fcs_float *box_b);

const fcs_float *fcs_get_box_b(FCS handle);

FCSResult fcs_set_box_c(FCS handle, const fcs_float *box_c);

const fcs_float *fcs_get_box_c(FCS handle);

FCSResult fcs_set_box_origin(FCS handle, const fcs_float *box_origin);

const fcs_float *fcs_get_box_origin(FCS handle);

FCSResult fcs_set_periodicity(FCS handle, const fcs_int *periodicity);

const fcs_int *fcs_get_periodicity(FCS handle);

FCSResult fcs_set_total_particles(FCS handle, fcs_int total_particles);

fcs_int fcs_get_total_particles(FCS handle);

FCSResult fcs_set_max_local_particles(FCS handle, fcs_int max_local_particles);

fcs_int fcs_get_max_local_particles(FCS handle);

FCSResult fcs_set_tolerance(FCS handle, fcs_int tolerance_type, fcs_float tolerance);

FCSResult fcs_get_tolerance(FCS handle, fcs_int *tolerance_type, fcs_float *tolerance);

FCSResult fcs_set_r_cut(FCS handle, fcs_float r_cut);

FCSResult fcs_unset_r_cut(FCS handle);

FCSResult fcs_get_r_cut(FCS handle, fcs_float *r_cut);

FCSResult fcs_set_parameters(FCS handle, const char *parameters, fcs_int continue_on_errors);

FCSResult fcs_print_parameters(FCS handle);

FCSResult fcs_tune(FCS handle, fcs_int local_particles,
  fcs_float *positions, fcs_float *charges);

FCSResult fcs_run(FCS handle, fcs_int local_particles,
  fcs_float *positions, fcs_float *charges, fcs_float *field, fcs_float *potentials);

FCSResult fcs_compute_dipole_correction(FCS handle, fcs_int local_particles,
  fcs_float* positions, fcs_float *charges, fcs_float epsilon,
  fcs_float *field_correction, fcs_float *energy_correction);

FCSResult fcs_get_near_field_delegation(FCS handle, fcs_int *near_field_delegation);

FCSResult fcs_compute_near(FCS handle, fcs_float dist, fcs_float *potential, fcs_float *field);

FCSResult fcs_compute_near_potential(FCS handle, fcs_float dist, fcs_float *potential);

FCSResult fcs_compute_near_field(FCS handle, fcs_float dist, fcs_float *field);

FCSResult fcs_set_compute_virial(FCS handle, fcs_int compute_virial);

FCSResult fcs_get_compute_virial(FCS handle, fcs_int *compute_virial);

FCSResult fcs_get_virial(FCS handle, fcs_float *virial);

FCSResult fcs_set_max_particle_move(FCS handle, fcs_float max_particle_move);

FCSResult fcs_set_resort(FCS handle, fcs_int resort);

FCSResult fcs_get_resort(FCS handle, fcs_int *resort);

FCSResult fcs_get_resort_availability(FCS handle, fcs_int *availability);

FCSResult fcs_get_resort_particles(FCS handle, fcs_int *resort_particles);

FCSResult fcs_resort_ints(FCS handle, fcs_int *src, fcs_int *dst, fcs_int n);

FCSResult fcs_resort_floats(FCS handle, fcs_float *src, fcs_float *dst, fcs_int n);

FCSResult fcs_resort_bytes(FCS handle, void *src, void *dst, fcs_int n);


#ifdef FCS_ENABLE_DEPRECATED
#define fcs_set_dimension    fcs_set_dimensions
#define fcs_get_dimension    fcs_get_dimensions
#define fcs_set_offset       fcs_set_box_origin
#define fcs_get_offset       fcs_get_box_origin
#define fcs_printHandle      fcs_print_parameters
#define fcs_method_has_near  fcs_delegate_near_field
#define fcs_parser           fcs_set_parameters
#define fcs_require_virial   fcs_set_compute_virial
#endif


#ifdef __cplusplus
}
#endif


#endif