use Maxwell-Boltzmann velocity distribution in reaction ensemble

espressomd · Nov 16, 2018 · 3141151 · 3141151
1 parent c5ce8a7
commit 3141151
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/src/core/reaction_ensemble.cpp b/src/core/reaction_ensemble.cpp
@@ -717,9 +717,9 @@ int ReactionAlgorithm::create_particle(int desired_type) {
   // for components
   double vel[3];
   // we use mass=1 for all particles, think about adapting this
-  vel[0] = std::pow(2 * PI * temperature, -3.0 / 2.0) * gaussian_random();
-  vel[1] = std::pow(2 * PI * temperature, -3.0 / 2.0) * gaussian_random();
-  vel[2] = std::pow(2 * PI * temperature, -3.0 / 2.0) * gaussian_random();
+  vel[0] = std::sqrt(temperature) * gaussian_random();
+  vel[1] = std::sqrt(temperature) * gaussian_random();
+  vel[2] = std::sqrt(temperature) * gaussian_random();
 #ifdef ELECTROSTATICS
   double charge = charges_of_types[desired_type];
 #endif