/*---------------------------------------------------------------------- PuReMD - Purdue ReaxFF Molecular Dynamics Program 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 "reax_types.h" #ifdef __cplusplus extern "C" { #endif void Sort_Matrix_Rows( sparse_matrix * const ); void jacobi( sparse_matrix const * const, real * const ); void setup_sparse_approx_inverse( reax_system const * const, simulation_data * const, storage * const, mpi_datatypes * const, sparse_matrix * const, sparse_matrix *, int, double ); real sparse_approx_inverse( reax_system const * const, simulation_data * const, storage * const, mpi_datatypes * const, sparse_matrix * const, sparse_matrix * const, sparse_matrix * const, int ); int dual_SDM( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, rvec2 * const, real, rvec2 * const, mpi_datatypes * const, int ); int SDM( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, real * const, real, real * const, mpi_datatypes * const, int ); int dual_CG( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, rvec2 * const, real, rvec2 * const, mpi_datatypes * const, int ); int CG( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, real * const, real, real * const, mpi_datatypes * const, int ); int dual_BiCGStab( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, rvec2 * const, real, rvec2 * const, mpi_datatypes * const, int ); int BiCGStab( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, real * const, real, real * const, mpi_datatypes * const, int ); int dual_PIPECG( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, rvec2 * const, real, rvec2 * const, mpi_datatypes * const, int ); int PIPECG( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, real * const, real, real * const, mpi_datatypes * const, int ); int dual_PIPECR( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, rvec2 * const, real, rvec2 * const, mpi_datatypes * const, int ); int PIPECR( reax_system const * const, control_params const * const, simulation_data * const, storage * const, sparse_matrix * const, real * const, real, real * const, mpi_datatypes * const, int ); #ifdef __cplusplus } #endif #endif