fcs_fmm_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_FMM_P_INCLUDED
#define FCS_FMM_P_INCLUDED
 
#include "fcs_definitions.h"
#include "fcs_result_p.h"
#include "fcs_interface_p.h"
 
#ifdef __cplusplus
extern "C" {
#endif
 
typedef struct fcs_fmm_parameters_t *fcs_fmm_parameters;
 
#define FCS_FMM_COULOMB 64
#define FCS_FMM_CUSP 65
#define FCS_FMM_NO_DIPOLE_CORRECTION -1
#define FCS_FMM_STANDARD_DIPOLE_CORRECTION 0
 
 
#define FCS_FMM_ACTIVE_DIPOLE_CORRECTION 1
#define FCS_FMM_STANDARD_ERROR 0
#define FCS_FMM_CUSTOM_ABSOLUTE 1
#define FCS_FMM_CUSTOM_RELATIVE 2
 
#define FCS_FMM_INHOMOGENOUS_SYSTEM 1LL
#define FCS_FMM_HOMOGENOUS_SYSTEM 0LL
 
FCSResult fcs_fmm_set_absrel(FCS handle, fcs_int choice);
 
FCSResult fcs_fmm_get_absrel(FCS handle, fcs_int *absrel);
 
FCSResult fcs_fmm_set_tolerance_energy(FCS handle, fcs_float tolerance_energy);
 
FCSResult fcs_fmm_get_tolerance_energy(FCS handle, fcs_float *tolerance_energy);
 
FCSResult fcs_fmm_set_dipole_correction(FCS handle, fcs_int dipole_correction);
 
FCSResult fcs_fmm_get_dipole_correction(FCS handle, fcs_int *dipole_correction);
 
FCSResult fcs_fmm_set_potential(FCS handle, fcs_int coulomb);
 
FCSResult fcs_fmm_get_potential(FCS handle, fcs_int *coulomb);
 
FCSResult fcs_fmm_set_internal_tuning(FCS handle, fcs_int system);
 
FCSResult fcs_fmm_get_internal_tuning(FCS handle, fcs_int *system);
 
FCSResult fcs_fmm_set_cusp_radius(FCS handle, fcs_float radius);
 
FCSResult fcs_fmm_get_cusp_radius(FCS handle, fcs_float *cusp_radius);
 
FCSResult fcs_fmm_set_maxdepth(FCS handle, fcs_int depth);
 
FCSResult fcs_fmm_get_maxdepth(FCS handle, fcs_int *depth);
 
FCSResult fcs_fmm_set_unroll_limit(FCS handle, fcs_int limit);
 
FCSResult fcs_fmm_get_unroll_limit(FCS handle, fcs_int *limit);
 
FCSResult fcs_fmm_set_balanceload(FCS handle, fcs_int load);
 
FCSResult fcs_fmm_get_balanceload(FCS handle, fcs_int *load);
 
FCSResult fcs_fmm_set_define_loadvector(FCS handle, fcs_int  define_loadvector);
FCSResult fcs_fmm_get_define_loadvector(FCS handle, fcs_int *define_loadvector);
 
/*
 * @brief combined setter function for all fmm related parameters
 * @param handle FCS-object that is modified
 * @param choice fcs_int choice for fmm which error boundary should be used:
 *        0 - relative error with 10^(-3)
 *        1 - relative error with energy tolerance (deltaE)
 *        2 - absolute error with energy tolerance (deltaE)
 * @param tolerance_energy [deltaE] fcs_float error boundary to be used by fmm (only applicable
 *        if absrel is either 1 or 2)
 * @param dipole_correction fcs_int chooses which form of dipole correction fmm should use:
 *        -1 = no dipole correction
 *         0 = standard dipole correction
 *         1 = dipole correction activated
 * @param potential fcs_int chooses which potential to use
 *         1 = coulomb potential (ignores radius, see below)
 *         2 = cusp potential (requires radius)
 * @param radius fcs_float sets the radius for the cusp potential, if chosen
 * @return FCSResult-object containing the return state
 */
FCSResult fcs_fmm_setup(FCS handle, fcs_int absrel, fcs_float tolerance_energy, fcs_int dipole_correction, fcs_int system, fcs_int maxdepth, fcs_int unroll_limit, fcs_int load/*, fcs_int potential, fcs_float radius*/);
 
void fcs_fmm_setup_f(void *handle, fcs_int absrel, fcs_float tolerance_energy, fcs_int dipole_correction, fcs_int *return_value);
 
#ifdef __cplusplus
}
#endif
 
#endif