00001 // 00002 // linearr12.h 00003 // 00004 // Copyright (C) 2003 Edward Valeev 00005 // 00006 // Author: Edward Valeev <edward.valeev@chemistry.gatech.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 #ifdef __GNUG__ 00029 #pragma interface 00030 #endif 00031 00032 #ifndef _chemistry_qc_mbptr12_linearr12_h 00033 #define _chemistry_qc_mbptr12_linearr12_h 00034 00035 namespace sc { 00036 namespace LinearR12 { 00037 enum StandardApproximation {StdApprox_A = 0, 00038 StdApprox_Ap = 1, 00039 StdApprox_B = 2}; 00040 enum ABSMethod {ABS_ABS = 0, 00041 ABS_ABSPlus = 1, 00042 ABS_CABS = 2, 00043 ABS_CABSPlus = 3}; 00044 } 00045 00046 } 00047 00048 #endif 00049 00050 // Local Variables: 00051 // mode: c++ 00052 // c-file-style: "CLJ" 00053 // End: 00054 00055