/usr/include/gromacs/legacyheaders/inputrec.h is in libgromacs-dev 5.1.2-1ubuntu1.
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* This file is part of the GROMACS molecular simulation package.
*
* Copyright (c) 2010,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
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#ifndef GMX_INPUTREC_H
#define GMX_INPUTREC_H
#include "gromacs/legacyheaders/types/inputrec.h"
#ifdef __cplusplus
extern "C"
{
#endif
#if 0
} /* fixes auto-indentation problems */
#endif
int ir_optimal_nstcalcenergy(const t_inputrec *ir);
int tcouple_min_integration_steps(int etc);
int ir_optimal_nsttcouple(const t_inputrec *ir);
int pcouple_min_integration_steps(int epc);
int ir_optimal_nstpcouple(const t_inputrec *ir);
/* Returns if the Coulomb force or potential is switched to zero */
gmx_bool ir_coulomb_switched(const t_inputrec *ir);
/* Returns if the Coulomb interactions are zero beyond the rcoulomb.
* Note: always returns TRUE for the Verlet cut-off scheme.
*/
gmx_bool ir_coulomb_is_zero_at_cutoff(const t_inputrec *ir);
/* As ir_coulomb_is_zero_at_cutoff, but also returns TRUE for user tabulated
* interactions, since these might be zero beyond rcoulomb.
*/
gmx_bool ir_coulomb_might_be_zero_at_cutoff(const t_inputrec *ir);
/* Returns if the Van der Waals force or potential is switched to zero */
gmx_bool ir_vdw_switched(const t_inputrec *ir);
/* Returns if the Van der Waals interactions are zero beyond the rvdw.
* Note: always returns TRUE for the Verlet cut-off scheme.
*/
gmx_bool ir_vdw_is_zero_at_cutoff(const t_inputrec *ir);
/* As ir_vdw_is_zero_at_cutoff, but also returns TRUE for user tabulated
* interactions, since these might be zero beyond rvdw.
*/
gmx_bool ir_vdw_might_be_zero_at_cutoff(const t_inputrec *ir);
#ifdef __cplusplus
}
#endif
#endif
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