Merge branch 'fix-timestep-pass'

plumed · Jun 4, 2024 · 877fc1b · 877fc1b · PlumedBot · Jun 4, 2024
2 parents d2158d1 + 418902a
commit 877fc1b
Show file tree

Hide file tree

Showing 3 changed files with 10 additions and 2 deletions.
diff --git a/src/core/Action.cpp b/src/core/Action.cpp
@@ -79,8 +79,7 @@ Action::Action(const ActionOptions&ao):
   keywords(ao.keys)
 {
   // Retrieve the timestep and save it
-  ActionWithValue* ts = plumed.getActionSet().selectWithLabel<ActionWithValue*>("timestep");
-  if( ts ) timestep = (ts->copyOutput(0))->get();
+  resetStoredTimestep();
 
   line.erase(line.begin());
   if( !keywords.exists("NO_ACTION_LOG") ) {
@@ -116,6 +115,11 @@ Action::Action(const ActionOptions&ao):
   }
 }
 
+void Action::resetStoredTimestep() {
+  ActionWithValue* ts = plumed.getActionSet().selectWithLabel<ActionWithValue*>("timestep");
+  if( ts ) timestep = (ts->copyOutput(0))->get();
+}
+
 Action::~Action() {
   if(files.size()!=0) {
     std::cerr<<"WARNING: some files open in action "+getLabel()+" where not properly closed. This could lead to data loss!!\n";

diff --git a/src/core/Action.h b/src/core/Action.h
@@ -329,6 +329,9 @@ class Action {
 /// Get the defaults
   std::string getDefaultString() const ;
 
+/// Set the timestep that is stored in the action to the correct value
+  void resetStoredTimestep();
+
 /// Get the info on what to calculate
   virtual std::string writeInGraph() const ;
 /// Specialized casts, to make PlumedMain run faster

diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
@@ -1406,6 +1406,7 @@ void PlumedMain::setUnits( const bool& natural, const Units& u ) {
   passtools->usingNaturalUnits = natural; passtools->units=u;
   std::vector<ActionToPutData*> idata = actionSet.select<ActionToPutData*>();
   for(const auto & ip : idata) ip->updateUnits( passtools.get() );
+  for(const auto & p : actionSet ) p->resetStoredTimestep();
 }
 
 void PlumedMain::startStep() {