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📄 state_file.h

📁 大型并行量子化学软件;支持密度泛函(DFT)。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。
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//// state_file.h//// Copyright (C) 1996 Limit Point Systems, Inc.//// Author: Curtis Janssen <cljanss@limitpt.com>// 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.//#ifndef _util_state_state_file_h#define _util_state_state_file_h#ifdef __GNUC__#pragma interface#endif#include <stdlib.h>#include <iostream>#include <iomanip>#include <util/state/state.h>#include <util/state/statein.h>#include <util/state/stateout.h>namespace sc {/** Writes state information to files. */class StateOutFile: public StateOut {  private:    // do not allow copy constructor or assignment    StateOutFile(const StateOutFile&);    void operator=(const StateOutFile&);  protected:    int opened_;    std::streambuf *buf_;  public:    /// State information will be written to ExEnv::outn().    StateOutFile();    /// State information will be written to s.    StateOutFile(std::ostream& s);    /// State information will be written to name.    StateOutFile(const char *name);    ~StateOutFile();    /// State information will be written to name.    virtual int open(const char *name);    /// Flush the output stream.    virtual void flush();    /// Close the output stream.    virtual void close();  };/** Reads state information from a file. */class StateInFile: public StateIn {  private:    // do not allow copy constructor or assignment    StateInFile(const StateInFile&);    void operator=(const StateInFile&);  protected:    int opened_;    std::streambuf *buf_;  public:    /// State information will be obtained from cin.    StateInFile();    /// State information will be obtained from fp.    StateInFile(std::istream& s);    /// State information will be obtained from name.    StateInFile(const char *name);    ~StateInFile();    /// State information will be obtained from name.    virtual int open(const char *name);    /// Close the output file.    virtual void close();  };}#endif// Local Variables:// mode: c++// c-file-style: "CLJ"// End:

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