include/inputrec.h

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   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  * Copyright (c) 2012,2013, by the GROMACS development team, led by
   7  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
   8  * others, as listed in the AUTHORS file in the top-level source
   9  * directory and at http://www.gromacs.org.
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  37 #ifndef _GMX_INPUTREC_H_
  38 #define _GMX_INPUTREC_H_
  39
  40 /** @file gmx_sort.h
  41  *
  42  *  @brief Portable implementation of thread-safe sort routines.
  43  *
  44  *
  45  *  This module provides a Gromacs version of the qsort() routine defined.
  46  *  It is not highly optimized, but it is thread safe, i.e. multiple threads
  47  *  can simultaneously call gmx_qsort with different data.
  48  */
  49
  50 #include <stdlib.h>
  51 #include "visibility.h"
  52 #include "types/inputrec.h"
  53
  54 #ifdef __cplusplus
  55 extern "C"
  56 {
  57 #endif
  58 #if 0
  59 } /* fixes auto-indentation problems */
  60 #endif
  61
  62
  63
  64 GMX_LIBGMX_EXPORT
  65 int ir_optimal_nstcalcenergy(const t_inputrec *ir);
  66
  67 GMX_LIBGMX_EXPORT
  68 int tcouple_min_integration_steps(int etc);
  69
  70 GMX_LIBGMX_EXPORT
  71 int ir_optimal_nsttcouple(const t_inputrec *ir);
  72
  73 GMX_LIBGMX_EXPORT
  74 int pcouple_min_integration_steps(int epc);
  75
  76 GMX_LIBGMX_EXPORT
  77 int ir_optimal_nstpcouple(const t_inputrec *ir);
  78
  79 #ifdef __cplusplus
  80 }
  81 #endif
  82
  83
  84 #endif /* _GMX_INPUTREC_H_ */