OrbitalJIT.h Source File

00001 /***************************************************************************
00002  *cr
00003  *cr            (C) Copyright 2008-2009 The Board of Trustees of the
00004  *cr                        University of Illinois
00005  *cr                         All Rights Reserved
00006  *cr
00007  ***************************************************************************/
00008 /***************************************************************************
00009  * RCS INFORMATION:
00010  *
00011  *      $RCSfile: OrbitalJIT.h,v $
00012  *      $Author: johns $        $Locker:  $             $State: Exp $
00013  *      $Revision: 1.1 $      $Date: 2010/04/29 15:48:35 $
00014  *
00015  ***************************************************************************
00016  * DESCRIPTION:
00017  *   This source file contains the just-in-time (JIT) code for generating
00018  *  CUDA and OpenCL kernels for computation of molecular orbitals on a 
00019  *  uniformly spaced grid, using one or more GPUs.
00020  *
00021  ***************************************************************************/
00022 
00023 #define ORBITAL_JIT_CUDA   0
00024 #define ORBITAL_JIT_OPENCL 1
00025 
00026 int orbital_jit_generate(int jitlanguage,
00027                          const char * srcfilename, int numatoms,
00028                          const float *wave_f, const float *basis_array,
00029                          const int *atom_basis,
00030                          const int *num_shells_per_atom,
00031                          const int *num_prim_per_shell,
00032                          const int *shell_types);