Merge branch 'master' into pygromacs

[alexxy/gromacs.git] / src / gromacs / gmxlib / chargegroup.cpp

diff --git a/src/gromacs/gmxlib/chargegroup.cpp b/src/gromacs/gmxlib/chargegroup.cpp
index aaf9d131671e377f77f2e60b86837b8e3fe5a533..b98383c4a88052e5e9650198923add5de0108012 100644 (file)
--- a/src/gromacs/gmxlib/chargegroup.cpp
+++ b/src/gromacs/gmxlib/chargegroup.cpp
@@ -38,7 +38,7 @@
 
 #include "gromacs/legacyheaders/chargegroup.h"
 
-#include <math.h>
+#include <cmath>
 
 #include "gromacs/legacyheaders/typedefs.h"
 #include "gromacs/math/vec.h"
@@ -139,10 +139,10 @@ void calc_chargegroup_radii(const gmx_mtop_t *mtop, rvec *x,
 
     sfree(bLJ);
 
-    *rvdw1  = sqrt(r2v1);
-    *rvdw2  = sqrt(r2v2);
-    *rcoul1 = sqrt(r2c1);
-    *rcoul2 = sqrt(r2c2);
+    *rvdw1  = std::sqrt(r2v1);
+    *rvdw2  = std::sqrt(r2v2);
+    *rcoul1 = std::sqrt(r2c1);
+    *rcoul2 = std::sqrt(r2c2);
 }
 
 void calc_cgcm(FILE gmx_unused *fplog, int cg0, int cg1, t_block *cgs,