core: Removed multiplication by one

espressomd · May 14, 2020 · 74e99b5 · 74e99b5
1 parent 5693cc8
commit 74e99b5
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Showing 3 changed files with 10 additions and 16 deletions.
diff --git a/src/core/Observable_stat.hpp b/src/core/Observable_stat.hpp
@@ -130,13 +130,11 @@ class Observable_stat : public Observable_stat_base {
   void resize() final;
 
   /** Rescale values */
-  void rescale(double volume, double time_step) {
-    auto const factor1 = 1. / (volume * time_step * time_step);
-    auto const factor2 = 1. / volume;
-    for (auto it = data.begin(); it != data.begin() + m_chunk_size; ++it)
-      *it *= factor1;
-    for (auto it = data.begin() + m_chunk_size; it != data.end(); ++it)
-      *it *= factor2;
+  void rescale(double volume) {
+    auto const factor = 1. / volume;
+    for(auto &e: data) {
+      e *= factor;
+    }
   }
 
   /** Get contribution from a bonded interaction */

diff --git a/src/core/pressure.cpp b/src/core/pressure.cpp
@@ -118,9 +118,9 @@ void pressure_calc(bool v_comp) {
 #endif
 
   /* rescale kinetic energy (=ideal contribution) */
-  obs_scalar_pressure.local.rescale(3.0 * volume, time_step);
+  obs_scalar_pressure.local.rescale(3.0 * volume);
 
-  obs_stress_tensor.local.rescale(volume, time_step);
+  obs_stress_tensor.local.rescale(volume);
 
   /* Intra- and Inter- part of nonbonded interaction */
   obs_scalar_pressure_non_bonded.local.rescale(3.0 * volume);

diff --git a/src/core/pressure_inline.hpp b/src/core/pressure_inline.hpp
@@ -202,19 +202,15 @@ inline void add_kinetic_virials(Particle const &p1, bool v_comp) {
   /* kinetic energy */
   if (v_comp) {
     obs_scalar_pressure.local.kinetic[0] +=
-        ((p1.m.v * time_step) -
-         (p1.f.f * (0.5 * Utils::sqr(time_step) / p1.p.mass)))
-            .norm2() *
-        p1.p.mass;
+        (p1.m.v - (p1.f.f * (0.5 * time_step / p1.p.mass))).norm2() * p1.p.mass;
   } else {
-    obs_scalar_pressure.local.kinetic[0] +=
-        Utils::sqr(time_step) * p1.m.v.norm2() * p1.p.mass;
+    obs_scalar_pressure.local.kinetic[0] += p1.m.v.norm2() * p1.p.mass;
   }
 
   for (int k = 0; k < 3; k++)
     for (int l = 0; l < 3; l++)
       obs_stress_tensor.local.kinetic[k * 3 + l] +=
-          (p1.m.v[k] * time_step) * (p1.m.v[l] * time_step) * p1.p.mass;
+          (p1.m.v[k]) * (p1.m.v[l]) * p1.p.mass;
 }
 
 #endif