Use constexpr for physical constants and move them into gmx namespace

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / hizzie.cpp

diff --git a/src/gromacs/gmxpreprocess/hizzie.cpp b/src/gromacs/gmxpreprocess/hizzie.cpp
index 83ba164b66bac4fca2a4ff4650a6e8e9358d0610..9278f09b5faacb126f5da51fcb3264fdc5b5a34d 100644 (file)
--- a/src/gromacs/gmxpreprocess/hizzie.cpp
+++ b/src/gromacs/gmxpreprocess/hizzie.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2017,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -145,7 +145,7 @@ static bool chk_hbonds(int i, t_atoms* pdba, rvec x[], const bool ad[], bool hbo
                 d2 = distance2(x[i], x[j]);
                 rvec_sub(x[i], xh, nh);
                 rvec_sub(x[aj], xh, oh);
-                a = RAD2DEG * acos(cos_angle(nh, oh));
+                a = gmx::c_rad2Deg * acos(cos_angle(nh, oh));
                 if ((d2 < dist2) && (a > angle))
                 {
                     hbond[i] = TRUE;