Changeset c8165c for src/Fragmentation

Timestamp:

May 8, 2017, 2:01:48 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

db0833

Parents:

73faf4 (diff), c1446cd (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'Docu_Python_wait' into Candidate_v1.6.1

Conflicts:

tests/Python/AllActions/options.dat

• two options introduced at same place, both get in.

Location:

src/Fragmentation/Exporters

Files:

• HydrogenPool.cpp (modified) (1 diff)
• HydrogenPool.hpp (modified) (1 diff)

src/Fragmentation/Exporters/HydrogenPool.cpp

@@ -91 +91 @@
       +" from pool is already in use.");
   LOG(3, "DEBUG: Leasing " << *Walker << ".");
-  UpdateSteps(Walker);
   HydrogenInUse.insert( std::make_pair( Walker->getId(), Walker) );
   HydrogenQueue.pop_front();
 
   return Walker;
-}
-
-void HydrogenPool::UpdateSteps(atom * _atom) const
-{
-  // make sure we are up to current time step
-  const size_t CurrentTime = WorldTime::getTime();
-  for (size_t step = _atom->getTrajectorySize(); step <= CurrentTime; ++step)
-    _atom->UpdateStep(step);
 }
 

src/Fragmentation/Exporters/HydrogenPool.hpp

@@ -73 +73 @@
   void cleanup();
 
-  /** Helper function to make sure \a _atom is up to current time step.
-   *
-   * \param _atom atom to bring trajectory size up to speed
-   */
-  void UpdateSteps(atom * _atom) const;
-
-
 private:
   //!> typedef for the deque of available hydrogens.