Removed some old chain functionality

plumed · Sep 17, 2024 · 03e8500 · 03e8500
1 parent 374d19f
commit 03e8500
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Showing 9 changed files with 9 additions and 17 deletions.
diff --git a/src/colvar/RMSDVector.cpp b/src/colvar/RMSDVector.cpp
@@ -244,7 +244,7 @@ void RMSDVector::apply() {
       }
       wasforced=true;
     }
-    if( wasforced ) { unsigned ss=0; addForcesOnArguments( 0, forces, ss, getLabel() ); }
+    if( wasforced ) { unsigned ss=0; addForcesOnArguments( 0, forces, ss  ); }
   } else ActionWithVector::apply();
 }
 

diff --git a/src/core/ActionWithArguments.cpp b/src/core/ActionWithArguments.cpp
@@ -301,12 +301,12 @@ double ActionWithArguments::getProjection(unsigned i,unsigned j)const {
   return Value::projection(*v1,*v2);
 }
 
-void ActionWithArguments::addForcesOnArguments( const unsigned& argstart, const std::vector<double>& forces, unsigned& ind, const std::string& c  ) {
+void ActionWithArguments::addForcesOnArguments( const unsigned& argstart, const std::vector<double>& forces, unsigned& ind ) {
   unsigned nargs=arguments.size(); const ActionWithVector* av=dynamic_cast<const ActionWithVector*>( this );
   if( av && av->getNumberOfMasks()>0 ) nargs=nargs-av->getNumberOfMasks();
   for(unsigned i=0; i<nargs; ++i) {
     if( i==0 && getName().find("EVALUATE_FUNCTION_FROM_GRID")!=std::string::npos ) continue ;
-    if( !arguments[i]->ignoreStoredValue(c) || arguments[i]->getRank()==0 || (arguments[i]->getRank()>0 && arguments[i]->hasDerivatives()) ) {
+    if( arguments[i]->storedata || arguments[i]->getRank()==0 || (arguments[i]->getRank()>0 && arguments[i]->hasDerivatives()) ) {
       unsigned nvals = arguments[i]->getNumberOfStoredValues();
       for(unsigned j=0; j<nvals; ++j) { arguments[i]->addForce( j, forces[ind], false ); ind++; }
     }

diff --git a/src/core/ActionWithArguments.h b/src/core/ActionWithArguments.h
@@ -72,7 +72,7 @@ class ActionWithArguments:
   void requestArguments(const std::vector<Value*> &arg);
   void requestExtraDependencies(const std::vector<Value*> &extra);
 /// Add forces to arguments (used in apply)
-  void addForcesOnArguments( const unsigned& argstart, const std::vector<double>& forces, unsigned& ind, const std::string& c );
+  void addForcesOnArguments( const unsigned& argstart, const std::vector<double>& forces, unsigned& ind );
 public:
   explicit ActionWithArguments(const ActionOptions&);
   virtual ~ActionWithArguments() {}

diff --git a/src/core/ActionWithVector.cpp b/src/core/ActionWithVector.cpp
@@ -772,13 +772,7 @@ void ActionWithVector::gatherForces( const unsigned& itask, const MultiValue& my
 void ActionWithVector::apply() {
   if( !checkForForces() ) return;
   // Find the top of the chain and add forces
-  unsigned ind=0; getFirstActionInChain()->addForcesToInput( getForcesToApply(), ind );
-}
-
-void ActionWithVector::addForcesToInput( const std::vector<double>& forcesToApply, unsigned& ind ) {
-  if( ind>=forcesToApply.size() ) return;
-  addForcesOnArguments( 0, forcesToApply, ind, getFirstActionInChain()->getLabel() ); setForcesOnAtoms( forcesToApply, ind );
-  if( action_to_do_after ) action_to_do_after->addForcesToInput( forcesToApply, ind );
+  unsigned ind=0; addForcesOnArguments( 0, forcesForApply, ind ); setForcesOnAtoms( forcesForApply, ind );
 }
 
 }
diff --git a/src/core/ActionWithVector.h b/src/core/ActionWithVector.h
@@ -79,8 +79,6 @@ class ActionWithVector:
   bool checkComponentsForForce() const ;
 /// Get the tasks that we need for forces
   void getForceTasks( std::vector<unsigned>& force_tasks ) const ;
-/// Add the gathered forces to the inputs across the whole chain
-  void addForcesToInput( const std::vector<double>& forcesToApply, unsigned& ind );
 /// Check if this ation can reduce the number of tasks we perform
   void canReduceTasks( std::vector<ActionWithVector*>& task_reducing_actions );
 /// Send information to arguments that tasks are reduced in depedent actions

diff --git a/src/function/Function.cpp b/src/function/Function.cpp
@@ -55,7 +55,7 @@ void Function::addComponentWithDerivatives( const std::string& name ) {
 void Function::apply()
 {
   if( !checkForForces() ) return;
-  unsigned ind=0; addForcesOnArguments( 0, getForcesToApply(), ind, getLabel() );
+  unsigned ind=0; addForcesOnArguments( 0, getForcesToApply(), ind );
 }
 
 }

diff --git a/src/isdb/EMMI.cpp b/src/isdb/EMMI.cpp
@@ -349,7 +349,7 @@ void EMMI::apply() {
     }
   }
   if( wasforced ) {
-    unsigned ind=0; addForcesOnArguments( 0, forcesToApply, ind, getLabel() );
+    unsigned ind=0; addForcesOnArguments( 0, forcesToApply, ind );
     if( getNumberOfAtoms()>0 ) setForcesOnAtoms( forcesToApply, ind );
   }
 }

diff --git a/src/isdb/MetainferenceBase.h b/src/isdb/MetainferenceBase.h
@@ -345,7 +345,7 @@ void MetainferenceBase::apply() {
     }
   }
   if( wasforced ) {
-    unsigned ind=0; addForcesOnArguments( 0, forcesToApply, ind, getLabel() );
+    unsigned ind=0; addForcesOnArguments( 0, forcesToApply, ind );
     if( getNumberOfAtoms()>0 ) setForcesOnAtoms( forcesToApply, ind );
   }
 }

diff --git a/src/vatom/ArgsToVatom.cpp b/src/vatom/ArgsToVatom.cpp
@@ -154,7 +154,7 @@ void ArgsToVatom::calculate() {
 void ArgsToVatom::apply() {
   if( !checkForForces() ) return ;
 
-  unsigned start=0; addForcesOnArguments( 0, getForcesToApply(), start, getLabel() );
+  unsigned start=0; addForcesOnArguments( 0, getForcesToApply(), start );
 }
 
 }