// // transform_12inds.h // // Copyright (C) 2004 Edward Valeev // // Author: Edward Valeev // Maintainer: EV // // 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. // #ifndef _chemistry_qc_mbpt_transform12inds_h #define _chemistry_qc_mbpt_transform12inds_h #ifdef __GNUC__ #pragma interface #endif #include #include #include #include #include namespace sc { #define PRINT_BIGGEST_INTS 0 class TwoBodyMOIntsTransform_12Inds: public Thread { Ref tform_; Ref tbint_; Ref lock_; Ref timer_; int mythread_; int nthread_; int ni_; // Number of i-indices handled in each pass int i_offset_; // first i-index handled in this pass double tol_; int debug_; int aoint_computed_; public: TwoBodyMOIntsTransform_12Inds(const Ref& tform, int mythread, int nthread, const Ref& lock, const Ref &tbint, double tol, int debug); ~TwoBodyMOIntsTransform_12Inds(); void set_i_offset(const int ioff) { i_offset_ = ioff; } void set_ni(const int nivalue) { ni_ = nivalue; } void run(); }; } #endif // ////////////////////////////////////////////////////////////////////////// // Local Variables: // mode: c++ // c-file-style: "CLJ-CONDENSED" // End: