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lin_alg.h 3.85 KiB
/*----------------------------------------------------------------------
  SerialReax - Reax Force Field Simulator

  Copyright (2010) Purdue University
  Hasan Metin Aktulga, haktulga@cs.purdue.edu
  Joseph Fogarty, jcfogart@mail.usf.edu
  Sagar Pandit, pandit@usf.edu
  Ananth Y Grama, ayg@cs.purdue.edu

  This program 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 2 of
  the License, or (at your option) any later version.

  This program 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:
  <http://www.gnu.org/licenses/>.
  ----------------------------------------------------------------------*/

#ifndef __LIN_ALG_H_
#define __LIN_ALG_H_

#include "mytypes.h"

typedef enum
{
    LOWER = 0,
    UPPER = 1,
} TRIANGULARITY;

void Sort_Matrix_Rows( sparse_matrix * const );

void setup_sparse_approx_inverse( const sparse_matrix * const, sparse_matrix **, 
        sparse_matrix **, sparse_matrix **, sparse_matrix **, const real );

int Estimate_LU_Fill( const sparse_matrix * const, const real * const );

void Calculate_Droptol( const sparse_matrix * const,
        real * const, const real );

#if defined(HAVE_SUPERLU_MT)
real SuperLU_Factorize( const sparse_matrix * const,
        sparse_matrix * const, sparse_matrix * const );
#endif

real diag_pre_comp( const sparse_matrix * const, real * const );

real ICHOLT( const sparse_matrix * const, const real * const,
        sparse_matrix * const, sparse_matrix * const );

#if defined(TESTING)
real ICHOL_PAR( const sparse_matrix * const, const unsigned int,
        sparse_matrix * const, sparse_matrix * const );
#endif

real ILU_PAR( const sparse_matrix * const, const unsigned int,
        sparse_matrix * const, sparse_matrix * const );

real ILUT_PAR( const sparse_matrix * const, const real *,
        const unsigned int, sparse_matrix * const, sparse_matrix * const );

#if defined(HAVE_LAPACKE) || defined(HAVE_LAPACKE_MKL)
real sparse_approx_inverse( const sparse_matrix * const, const sparse_matrix * const,
        sparse_matrix ** );
#endif

void Transpose( const sparse_matrix * const, sparse_matrix * const );
void Transpose_I( sparse_matrix * const );

void tri_solve( const sparse_matrix * const, const real * const,
        real * const, const int, const TRIANGULARITY );

void tri_solve_level_sched( const sparse_matrix * const,
        const real * const, real * const, const int,
        const TRIANGULARITY, int );

void jacobi_iter( const sparse_matrix * const, const real * const,
        const real * const, real * const, const TRIANGULARITY,
        const unsigned int );

void setup_graph_coloring( const control_params * const,
        static_storage * const, const sparse_matrix * const,
        sparse_matrix **, sparse_matrix ** );

int GMRES( const static_storage * const, const control_params * const,
        simulation_data * const, const sparse_matrix * const,
        const real * const, const real, real * const,
        const int );

int GMRES_HouseHolder( const static_storage * const, const control_params * const,
        simulation_data * const, const sparse_matrix * const,
        const real * const, const real, real * const,
        const int );

int CG( const static_storage * const, const control_params * const,
        simulation_data * const, const sparse_matrix * const, const real * const,
        const real, real * const, const int );

int SDM( const static_storage * const, const control_params * const,
        simulation_data * const, const sparse_matrix * const, const real * const, const real,
        real * const, const int );

real condest( const sparse_matrix * const, const sparse_matrix * const );


#endif