// // int1e.cc // // Copyright (C) 1996 Limit Point Systems, Inc. // // Author: Curtis Janssen // Maintainer: LPS // // This file is part of the SC Toolkit. // // The SC Toolkit is free software; you can redistribute it and/or modify // it under the terms of the GNU Library General Public License as published by // the Free Software Foundation; either version 2, or (at your option) // any later version. // // The SC Toolkit 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 Library General Public License for more details. // // You should have received a copy of the GNU Library General Public License // along with the SC Toolkit; see the file COPYING.LIB. If not, write to // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. // // The U.S. Government is granted a limited license as per AL 91-7. // #ifdef __GNUG__ #pragma implementation #endif #include #include using namespace sc; Int1eV3::Int1eV3(Integral *integral, const Ref&b1, const Ref&b2, int order) { integral_ = integral; exponent_weighted = -1; scale_shell_result = 0; result_scale_factor = 1.0; three_center = 0; init_order = -1; buff = 0; cartesianbuffer = 0; cartesianbuffer_scratch = 0; bs1_ = b1; bs2_ = b2; transform_init(); int_initialize_offsets1(); int_initialize_1e(0,order); } Int1eV3::~Int1eV3() { transform_done(); int_done_1e(); int_done_offsets1(); } ///////////////////////////////////////////////////////////////////////////// // Local Variables: // mode: c++ // c-file-style: "CLJ" // End: