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[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm_geometry.cpp

diff --git a/src/gromacs/nbnxm/nbnxm_geometry.cpp b/src/gromacs/nbnxm/nbnxm_geometry.cpp
index ff1f6ee1d1900307460806d8df56d9eee33c3ddd..5a999e355c970b030a39665f68b83ea7eeef112b 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_geometry.cpp
+++ b/src/gromacs/nbnxm/nbnxm_geometry.cpp
@@ -46,28 +46,25 @@
 /* Clusters at the cut-off only increase rlist by 60% of their size */
 static constexpr real c_nbnxnRlistIncreaseOutsideFactor = 0.6;
 
-real nbnxn_get_rlist_effective_inc(const int  jClusterSize,
-                                   const real atomDensity)
+real nbnxn_get_rlist_effective_inc(const int jClusterSize, const real atomDensity)
 {
     /* We should get this from the setup, but currently it's the same for
      * all setups, including GPUs.
      */
-    const real iClusterSize    = c_nbnxnCpuIClusterSize;
+    const real iClusterSize = c_nbnxnCpuIClusterSize;
 
-    const real iVolumeIncrease = (iClusterSize - 1)/atomDensity;
-    const real jVolumeIncrease = (jClusterSize - 1)/atomDensity;
+    const real iVolumeIncrease = (iClusterSize - 1) / atomDensity;
+    const real jVolumeIncrease = (jClusterSize - 1) / atomDensity;
 
-    return c_nbnxnRlistIncreaseOutsideFactor*std::cbrt(iVolumeIncrease +
-                                                       jVolumeIncrease);
+    return c_nbnxnRlistIncreaseOutsideFactor * std::cbrt(iVolumeIncrease + jVolumeIncrease);
 }
 
-real nbnxn_get_rlist_effective_inc(const int        clusterSize,
-                                   const gmx::RVec &averageClusterBoundingBox)
+real nbnxn_get_rlist_effective_inc(const int clusterSize, const gmx::RVec& averageClusterBoundingBox)
 {
     /* The average length of the diagonal of a sub cell */
-    const real diagonal    = std::sqrt(norm2(averageClusterBoundingBox));
+    const real diagonal = std::sqrt(norm2(averageClusterBoundingBox));
 
-    const real volumeRatio = (clusterSize - 1.0_real)/clusterSize;
+    const real volumeRatio = (clusterSize - 1.0_real) / clusterSize;
 
-    return c_nbnxnRlistIncreaseOutsideFactor*gmx::square(volumeRatio)*0.5_real*diagonal;
+    return c_nbnxnRlistIncreaseOutsideFactor * gmx::square(volumeRatio) * 0.5_real * diagonal;
 }