Changeset 8d56a6 for src/Atom/atom_atominfo.cpp

Timestamp:

Jun 21, 2018, 8:31:25 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, Candidate_v1.7.0, Candidate_v1.7.1, ChemicalSpaceEvaluator, stable

Children:

d83d64, f5ea10

Parents:

3e334e (diff), 4fc0ea (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 'TremoloParser_IncreasedPrecision' into Candidate_v1.6.1

Conflicts:

tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data
tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data

File:

• src/Atom/atom_atominfo.cpp (modified) (4 diffs)

src/Atom/atom_atominfo.cpp

@@ -191 +191 @@
 {
   OBSERVE;
-  NOTIFY(AtomObservable::PositionChanged);
   VectorTrajectory_t::iterator iter = AtomicPosition.find(_step);
   if (iter !=  AtomicPosition.end()) {
     iter->second[i] = value;
   } else {
+    NOTIFY(TrajectoryChanged);
     Vector newPos;
     newPos[i] = value;
@@ -206 +206 @@
         +" present after all?");
   }
+  if (WorldTime::getTime() == _step)
+    NOTIFY(AtomObservable::PositionChanged);
 }
 
@@ -278 +280 @@
     iter->second = _newvelocity;
   } else {
+    NOTIFY(TrajectoryChanged);
 #ifndef NDEBUG
     std::pair<VectorTrajectory_t::iterator, bool> inserter =
@@ -320 +323 @@
     iter->second = _newforce;
   } else {
+    NOTIFY(TrajectoryChanged);
 #ifndef NDEBUG
     std::pair<VectorTrajectory_t::iterator, bool> inserter =