/usr/include/gromacs/legacyheaders/nrnb.h is in libgromacs-dev 5.1.2-1ubuntu1.
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* This file is part of the GROMACS molecular simulation package.
*
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* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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#ifndef _nrnb_h
#define _nrnb_h
#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
extern "C" {
#endif
void init_nrnb(t_nrnb *nrnb);
void cp_nrnb(t_nrnb *dest, t_nrnb *src);
void add_nrnb(t_nrnb *dest, t_nrnb *s1, t_nrnb *s2);
void print_nrnb(FILE *out, t_nrnb *nrnb);
void _inc_nrnb(t_nrnb *nrnb, int enr, int inc, char *file, int line);
#ifdef DEBUG_NRNB
#define inc_nrnb(nrnb, enr, inc) _inc_nrnb(nrnb, enr, inc, __FILE__, __LINE__)
#else
#define inc_nrnb(nrnb, enr, inc) (nrnb)->n[enr] += inc
#endif
void print_flop(FILE *out, t_nrnb *nrnb, double *nbfs, double *mflop);
/* Calculates the non-bonded forces and flop count.
* When out!=NULL also prints the full count table.
*/
void print_perf(FILE *out, double nodetime, double realtime,
gmx_int64_t nsteps, double delta_t,
double nbfs, double mflop);
/* Prints the performance, nbfs and mflop come from print_flop */
void pr_load(FILE *log, t_commrec *cr, t_nrnb nrnb[]);
/* Print detailed load balancing info */
int cost_nrnb(int enr);
/* Cost in i860 cycles of this component of MD */
const char *nrnb_str(int enr);
/* Name of this component */
#ifdef __cplusplus
}
#endif
#endif /* _nrnb_h */
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