Clang-format

diff --git a/src/gromacs/gmxana/gmx_wham.cpp b/src/gromacs/gmxana/gmx_wham.cpp
index 921b166e2175cd3eddaa58b448ada3dd9c0ad5c9..bcace1190ff52cbbcf247eee0c034def632ad184 100644 (file)
--- a/src/gromacs/gmxana/gmx_wham.cpp
+++ b/src/gromacs/gmxana/gmx_wham.cpp
@@ -187,8 +187,8 @@ typedef struct
     double*  k;     //!< force constants for the nPull coords
     double*  pos;   //!< umbrella positions for the nPull coords
     double* z; //!< z=(-Fi/kT) for the nPull coords. These values are iteratively computed during wham
-    int*    N;    //!< nr of data points in nPull histograms.
-    int*    Ntot; //!< also nr of data points. N and Ntot only differ if bHistEq==TRUE
+    int* N;    //!< nr of data points in nPull histograms.
+    int* Ntot; //!< also nr of data points. N and Ntot only differ if bHistEq==TRUE
 
     /*! \brief  g = 1 + 2*tau[int]/dt where tau is the integrated autocorrelation time.
      *
@@ -244,10 +244,10 @@ typedef struct UmbrellaOptions // NOLINT(clang-analyzer-optin.performance.Paddin
      * \name Basic WHAM options
      */
     /*!\{*/
-    int  bins; //!< nr of bins, min, max, and dz of profile
-    real min, max, dz;
-    real Temperature, Tolerance; //!< temperature, converged when probability changes less than Tolerance
-    gmx_bool bCycl;              //!< generate cyclic (periodic) PMF
+    int      bins; //!< nr of bins, min, max, and dz of profile
+    real     min, max, dz;
+    real     Temperature, Tolerance; //!< temperature, converged when probability changes less than Tolerance
+    gmx_bool bCycl;                  //!< generate cyclic (periodic) PMF
     /*!\}*/
     /*!
      * \name Output control

diff --git a/src/gromacs/gmxpreprocess/gen_vsite.cpp b/src/gromacs/gmxpreprocess/gen_vsite.cpp
index a30eb061f3c6e417350af5c357f0707f9263381f..ffa7fde37ec42ff0cc121d4b053fb8324dd24382 100644 (file)
--- a/src/gromacs/gmxpreprocess/gen_vsite.cpp
+++ b/src/gromacs/gmxpreprocess/gen_vsite.cpp
@@ -96,7 +96,11 @@ struct VirtualSiteConfiguration
                                       int                nhyd,
                                       const std::string& nextheavy,
                                       const std::string& dummy) :
-        atomtype(type), isplanar(planar), nHydrogens(nhyd), nextHeavyType(nextheavy), dummyMass(dummy)
+        atomtype(type),
+        isplanar(planar),
+        nHydrogens(nhyd),
+        nextHeavyType(nextheavy),
+        dummyMass(dummy)
     {
     }
     //! Type for the XH3/XH2 atom.
@@ -146,7 +150,9 @@ struct VirtualSiteTopology
          * \param[in] v Value for distance.
          */
         VirtualSiteBond(const std::string& a1, const std::string& a2, real v) :
-            atom1(a1), atom2(a2), value(v)
+            atom1(a1),
+            atom2(a2),
+            value(v)
         {
         }
         //! Atom 1 in bond.
@@ -170,7 +176,10 @@ struct VirtualSiteTopology
          * \param[in] v Value for angle.
          */
         VirtualSiteAngle(const std::string& a1, const std::string& a2, const std::string& a3, real v) :
-            atom1(a1), atom2(a2), atom3(a3), value(v)
+            atom1(a1),
+            atom2(a2),
+            atom3(a3),
+            value(v)
         {
         }
         //! Atom 1 in angle.