src/lib/chemistry/qc/mbptr12/r12ia_memgrp.h

//
// r12ia_memgrp.h
//
// Copyright (C) 2002 Edward Valeev
//
// Author: Edward Valeev <evaleev@vt.edu>
// 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_mbptr12_r12ia_memgrp_h
#define _chemistry_qc_mbptr12_r12ia_memgrp_h

#ifdef __GNUC__
#pragma interface
#endif

#include <util/ref/ref.h>
#include <util/group/memory.h>
#include <chemistry/qc/mbptr12/r12ia.h>

namespace sc {


class R12IntsAcc_MemoryGrp: public R12IntsAcc {

    Ref<MemoryGrp> mem_;     

    size_t blksize_memgrp_;

    struct PairBlkInfo {
      const double *ints_[max_num_te_types_];   // blocks corresponding to each operator type
      mutable int refcount_[max_num_te_types_];         // counts references
      distsize_t offset_;                       // global Memgrp offset in bytes
    } *pairblk_;

    void init();
    // Utility functions
    int ij_proc(int i, int j) const { return ij_index(i,j)%ntasks();};

  public:
    R12IntsAcc_MemoryGrp(const Ref<MemoryGrp>&, int num_te_types,
                         int ni, int nj, int nx, int ny,
                         size_t memorygrp_blksize);
    R12IntsAcc_MemoryGrp(StateIn&);
    ~R12IntsAcc_MemoryGrp();
    void save_data_state(StateOut&);

    // Implementation of R12IntsAcc_MemoryGrp
    void deactivate();
    bool data_persistent() const { return false; }
    void store_pair_block(int i, int j, tbint_type oper_type, const double *ints);
    const double* retrieve_pair_block(int i, int j, tbint_type oper_type) const;
    void release_pair_block(int i, int j, tbint_type oper_type) const;

    bool is_local(int i, int j) const { return (ij_proc(i,j) == mem_->me());};
    bool is_avail(int i, int j) const { return true;};
    bool has_access(int proc) const { return true;};

};

}

#endif

// Local Variables:
// mode: c++
// c-file-style: "CLJ"
// End:

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