/usr/include/gromacs/inputrec.h is in gromacs-dev 4.6.5-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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* This file is part of the GROMACS molecular simulation package.
*
* This file is part of Gromacs Copyright (c) 1991-2010
* David van der Spoel, Erik Lindahl, Berk Hess, University of Groningen.
* Copyright (c) 2012,2013, by the GROMACS development team, led by
* David van der Spoel, Berk Hess, Erik Lindahl, and including many
* others, as listed in the AUTHORS file in the top-level source
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*/
#ifndef _GMX_INPUTREC_H_
#define _GMX_INPUTREC_H_
/** @file gmx_sort.h
*
* @brief Portable implementation of thread-safe sort routines.
*
*
* This module provides a Gromacs version of the qsort() routine defined.
* It is not highly optimized, but it is thread safe, i.e. multiple threads
* can simultaneously call gmx_qsort with different data.
*/
#include <stdlib.h>
#include "visibility.h"
#include "types/inputrec.h"
#ifdef __cplusplus
extern "C"
{
#endif
#if 0
} /* fixes auto-indentation problems */
#endif
GMX_LIBGMX_EXPORT
int ir_optimal_nstcalcenergy(const t_inputrec *ir);
GMX_LIBGMX_EXPORT
int tcouple_min_integration_steps(int etc);
GMX_LIBGMX_EXPORT
int ir_optimal_nsttcouple(const t_inputrec *ir);
GMX_LIBGMX_EXPORT
int pcouple_min_integration_steps(int epc);
GMX_LIBGMX_EXPORT
int ir_optimal_nstpcouple(const t_inputrec *ir);
#ifdef __cplusplus
}
#endif
#endif /* _GMX_INPUTREC_H_ */
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