include/inputrec.h

   1 /* -*- mode: c; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4; c-file-style: "stroustrup"; -*-
   2  *
   3  *
   4  * This file is part of Gromacs        Copyright (c) 1991-2010
   5  * David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen.
   6  *
   7  * This program is free software; you can redistribute it and/or
   8  * modify it under the terms of the GNU General Public License
   9  * as published by the Free Software Foundation; either version 2
  10  * of the License, or (at your option) any later version.
  11  *
  12  * To help us fund GROMACS development, we humbly ask that you cite
  13  * the research papers on the package. Check out http://www.gromacs.org
  14  *
  15  * And Hey:
  16  * Gnomes, ROck Monsters And Chili Sauce
  17  */
  18 #ifndef _GMX_INPUTREC_H_
  19 #define _GMX_INPUTREC_H_
  20
  21 /** @file gmx_sort.h
  22  *
  23  *  @brief Portable implementation of thread-safe sort routines.
  24  *
  25  *
  26  *  This module provides a Gromacs version of the qsort() routine defined.
  27  *  It is not highly optimized, but it is thread safe, i.e. multiple threads
  28  *  can simultaneously call gmx_qsort with different data.
  29  */
  30
  31 #include <stdlib.h>
  32
  33 #include "types/inputrec.h"
  34
  35 #ifdef __cplusplus
  36 extern "C"
  37 {
  38 #endif
  39 #if 0
  40 } /* fixes auto-indentation problems */
  41 #endif
  42
  43
  44
  45 int ir_optimal_nstcalcenergy(const t_inputrec *ir);
  46
  47 int tcouple_min_integration_steps(int etc);
  48
  49 int ir_optimal_nsttcouple(const t_inputrec *ir);
  50
  51 int pcouple_min_integration_steps(int epc);
  52
  53 int ir_optimal_nstpcouple(const t_inputrec *ir);
  54
  55 #ifdef __cplusplus
  56 }
  57 #endif
  58
  59
  60 #endif /* _GMX_INPUTREC_H_ */