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41 #include "../../utility/basedefinitions.h"
50 #define XX 0 /* Defines for indexing in */
51 #define YY 1 /* vectors */
53 #define DIM 3 /* Dimension of vectors */
55 typedef int atom_id; /* To indicate an atoms id */
56 #define NO_ATID (atom_id)(~0) /* Use this to indicate invalid atid */
58 /*! \brief Double precision accuracy */
59 #define GMX_DOUBLE_EPS 1.11022302E-16
61 /*! \brief Maximum double precision value - reduced 1 unit in last digit for MSVC */
62 #define GMX_DOUBLE_MAX 1.79769312E+308
64 /*! \brief Minimum double precision value */
65 #define GMX_DOUBLE_MIN 2.22507386E-308
67 /*! \brief Single precision accuracy */
68 #define GMX_FLOAT_EPS 5.96046448E-08
70 /*! \brief Maximum single precision value - reduced 1 unit in last digit for MSVC */
71 #define GMX_FLOAT_MAX 3.40282346E+38
73 /*! \brief Minimum single precision value */
74 #define GMX_FLOAT_MIN 1.17549435E-38
77 /* Check whether we already have a real type! */
85 #define GMX_MPI_REAL MPI_DOUBLE
86 #define GMX_REAL_EPS GMX_DOUBLE_EPS
87 #define GMX_REAL_MIN GMX_DOUBLE_MIN
88 #define GMX_REAL_MAX GMX_DOUBLE_MAX
89 #define gmx_real_fullprecision_pfmt "%21.14e"
97 #define GMX_MPI_REAL MPI_FLOAT
98 #define GMX_REAL_EPS GMX_FLOAT_EPS
99 #define GMX_REAL_MIN GMX_FLOAT_MIN
100 #define GMX_REAL_MAX GMX_FLOAT_MAX
101 #define gmx_real_fullprecision_pfmt "%14.7e"
104 typedef real rvec[DIM];
106 typedef double dvec[DIM];
108 typedef real matrix[DIM][DIM];
110 typedef real tensor[DIM][DIM];
112 typedef int ivec[DIM];
114 typedef int imatrix[DIM][DIM];