#define NO_ATID (atom_id)(~0) /* Use this to indicate invalid atid */
/*! \brief Double precision accuracy */
-#define GMX_DOUBLE_EPS 1.11022302E-16
+#define GMX_DOUBLE_EPS 2.2204460492503131e-16
/*! \brief Maximum double precision value - reduced 1 unit in last digit for MSVC */
-#define GMX_DOUBLE_MAX 1.79769312E+308
+#define GMX_DOUBLE_MAX 1.7976931348623157e+308
/*! \brief Minimum double precision value */
-#define GMX_DOUBLE_MIN 2.22507386E-308
+#define GMX_DOUBLE_MIN 2.2250738585072014e-308
/*! \brief Single precision accuracy */
-#define GMX_FLOAT_EPS 5.96046448E-08
+#define GMX_FLOAT_EPS 1.19209290e-07F
/*! \brief Maximum single precision value - reduced 1 unit in last digit for MSVC */
-#define GMX_FLOAT_MAX 3.40282346E+38
+#define GMX_FLOAT_MAX 3.40282346E+38F
/*! \brief Minimum single precision value */
-#define GMX_FLOAT_MIN 1.17549435E-38
+#define GMX_FLOAT_MIN 1.175494351E-38F
/* Check whether we already have a real type! */
{
// Pme correction only needs to be ~1e-6 accuracy single, 1e-10 double
#ifdef GMX_DOUBLE
- setUlpTol((gmx_int64_t)(1e-10/GMX_REAL_EPS));
+ setUlpTol((gmx_int64_t)(5e-10/GMX_REAL_EPS));
#else
- setUlpTol((gmx_int64_t)(1e-6/GMX_REAL_EPS));
+ setUlpTol((gmx_int64_t)(5e-6/GMX_REAL_EPS));
#endif
setRange(0.15, 4);
{
// Pme correction only needs to be ~1e-6 accuracy single, 1e-10 double
#ifdef GMX_DOUBLE
- setUlpTol((gmx_int64_t)(1e-10/GMX_REAL_EPS));
+ setUlpTol((gmx_int64_t)(5e-10/GMX_REAL_EPS));
#else
- setUlpTol((gmx_int64_t)(1e-6/GMX_REAL_EPS));
+ setUlpTol((gmx_int64_t)(5e-6/GMX_REAL_EPS));
#endif
setRange(0.15, 4);
setAbsTol(GMX_REAL_EPS);