MD-Bench/gromacs/includes/util.h
Rafael Ravedutti 29fa08fa7f Enhance output for gromacs variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-08-16 19:32:49 +02:00

62 lines
1.7 KiB
C

/*
* =======================================================================================
*
* Author: Jan Eitzinger (je), jan.eitzinger@fau.de
* Copyright (c) 2020 RRZE, University Erlangen-Nuremberg
*
* This file is part of MD-Bench.
*
* MD-Bench is free software: you can redistribute it and/or modify it
* under the terms of the GNU Lesser General Public License as published
* by the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* MD-Bench is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A
* PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
* details.
*
* You should have received a copy of the GNU Lesser General Public License along
* with MD-Bench. If not, see <https://www.gnu.org/licenses/>.
* =======================================================================================
*/
#ifndef __UTIL_H_
#define __UTIL_H_
#ifndef MIN
# define MIN(x,y) ((x)<(y)?(x):(y))
#endif
#ifndef MAX
# define MAX(x,y) ((x)>(y)?(x):(y))
#endif
#ifndef ABS
# define ABS(a) ((a) >= 0 ? (a) : -(a))
#endif
#ifdef DEBUG
# define DEBUG_MESSAGE printf
#else
# define DEBUG_MESSAGE
#endif
#ifndef MAXLINE
# define MAXLINE 4096
#endif
#if PRECISION == 1
# define PRECISION_STRING "single"
#else
# define PRECISION_STRING "double"
#endif
#define FF_LJ 0
#define FF_EAM 1
extern double myrandom(int*);
extern void random_reset(int *seed, int ibase, double *coord);
extern int str2ff(const char *string);
extern const char* ff2str(int ff);
#endif