00001 // 00002 // debug.h 00003 // 00004 // Copyright (C) 2008 Edward Valeev 00005 // 00006 // Author: Edward Valeev <evaleev@vt.edu> 00007 // Maintainer: EV 00008 // 00009 // This file is part of the SC Toolkit. 00010 // 00011 // The SC Toolkit is free software; you can redistribute it and/or modify 00012 // it under the terms of the GNU Library General Public License as published by 00013 // the Free Software Foundation; either version 2, or (at your option) 00014 // any later version. 00015 // 00016 // The SC Toolkit is distributed in the hope that it will be useful, 00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00019 // GNU Library General Public License for more details. 00020 // 00021 // You should have received a copy of the GNU Library General Public License 00022 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to 00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. 00024 // 00025 // The U.S. Government is granted a limited license as per AL 91-7. 00026 // 00027 00028 #ifndef _chemistry_qc_mbptr12_debug_h 00029 #define _chemistry_qc_mbptr12_debug_h 00030 00031 // Collection of preprocessor switches for debugging code features 00032 00033 // Set this to 1 to evaluate MV contribution by RI 00034 // this causes the following changes: 00035 // 1) Q and P receive MV term instead of h+J and K, respectively 00036 // 2) P term will only contain the f(MV)f contribution 00037 #define EVALUATE_MV_VIA_RI 0 00038 00039 00040 #endif