added Verlet scheme and NxN non-bonded functionality

[alexxy/gromacs.git] / include / maths.h

diff --git a/include/maths.h b/include/maths.h
index 5d29e53487d44b4a68135437084e657ab22d37d4..4a82797d3c2e2ec3bbf9040381c2dd9486dfb94c 100644 (file)
--- a/include/maths.h
+++ b/include/maths.h
@@ -102,8 +102,17 @@ real    sign(real x,real y);
 int            gmx_nint(real a);
 real    sign(real x,real y);
 real    cuberoot (real a);
-real    gmx_erf(real x);
-real    gmx_erfc(real x);
+double  gmx_erfd(double x);
+double  gmx_erfcd(double x);
+float   gmx_erff(float x);
+float   gmx_erfcf(float x);
+#ifdef GMX_DOUBLE
+#define gmx_erf(x)   gmx_erfd(x)
+#define gmx_erfc(x)  gmx_erfcd(x)
+#else
+#define gmx_erf(x)   gmx_erff(x)
+#define gmx_erfc(x)  gmx_erfcf(x)
+#endif
 
 gmx_bool gmx_isfinite(real x);