OrbitalJIT.h

00001 /***************************************************************************
00002 *cr
00003 *cr (C) Copyright 1995-2019 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: 1.3 $ $Date: 2020年02月26日 06:00:57 $
00014 *
00015 ***************************************************************************/
00022 #define ORBITAL_JIT_CUDA 0
00023 #define ORBITAL_JIT_OPENCL 1
00024 
00025 int orbital_jit_generate(int jitlanguage,
00026 const char * srcfilename, int numatoms,
00027 const float *wave_f, const float *basis_array,
00028 const int *atom_basis,
00029 const int *num_shells_per_atom,
00030 const int *num_prim_per_shell,
00031 const int *shell_types);