First step in removing old implementation of derivatives calculated i…

…n forward loop

src/core/ActionWithVector.cpp

@@ -589,7 +589,7 @@ void ActionWithVector::runAllTasks() {
   }
   // Get the total number of streamed quantities that we need
   unsigned nquants=0, nmatrices=0, maxcol=0;
-  getNumberOfStreamedQuantities( getLabel(), nquants, nmatrices, maxcol );
+  setupStreamedComponents( getLabel(), nquants, nmatrices, maxcol );
   // Get size for buffer
   unsigned bufsize=0; getSizeOfBuffer( nactive_tasks, bufsize );
   if( buffer.size()!=bufsize ) buffer.resize( bufsize );
@@ -674,17 +674,9 @@ void ActionWithVector::getNumberOfTasks( unsigned& ntasks ) {
 }
 
 void ActionWithVector::setupStreamedComponents( const std::string& headstr, unsigned& nquants, unsigned& nmat, unsigned& maxcol ) {
-  for(unsigned i=0; i<getNumberOfArguments(); ++i) {
-    if( !getPntrToArgument(i)->ignoreStoredValue(headstr) ) { getPntrToArgument(i)->streampos=nquants; nquants++; }
-  }
   for(int i=0; i<getNumberOfComponents(); ++i) { getPntrToComponent(i)->streampos=nquants; nquants++; }
 }
 
-void ActionWithVector::getNumberOfStreamedQuantities( const std::string& headstr, unsigned& nquants, unsigned& nmat, unsigned& maxcol ) {
-  setupStreamedComponents( headstr, nquants, nmat, maxcol );
-  if( action_to_do_after ) action_to_do_after->getNumberOfStreamedQuantities( headstr, nquants, nmat, maxcol );
-}
-
 void ActionWithVector::getSizeOfBuffer( const unsigned& nactive_tasks, unsigned& bufsize ) {
   for(int i=0; i<getNumberOfComponents(); ++i) {
     getPntrToComponent(i)->bufstart=bufsize;
@@ -816,7 +808,7 @@ bool ActionWithVector::checkForForces() {
 
   // Now determine how big the multivalue needs to be
   unsigned nquants=0, nmatrices=0, maxcol=0;
-  getNumberOfStreamedQuantities( getLabel(), nquants, nmatrices, maxcol );
+  setupStreamedComponents( getLabel(), nquants, nmatrices, maxcol );
   // Recover the number of derivatives we require (this should be equal to the number of forces)
   unsigned nderiv=0; getNumberOfStreamedDerivatives( nderiv, NULL );
   if( !action_to_do_after && arg_deriv_starts.size()>0 ) {

src/core/ActionWithVector.h

@@ -69,8 +69,6 @@ class ActionWithVector:
   void gatherForces( const unsigned& i, const MultiValue& myvals, std::vector<double>& forces ) const ;
 /// Get the size of the buffer array that holds the data we are gathering over the MPI loop
   void getSizeOfBuffer( const unsigned& nactive_tasks, unsigned& bufsize );
-/// Get the number of quantities in the stream
-  void getNumberOfStreamedQuantities( const std::string& headstr, unsigned& nquants, unsigned& nmat, unsigned& maxcol );
 /// Get the number of stored values in the stream
   bool getNumberOfStoredValues( Value* startat, unsigned& nvals, const unsigned& astart, const std::vector<Value*>& stopat );
 /// Add this action to the recursive chain
@@ -110,8 +108,6 @@ class ActionWithVector:
   void updateTaskListReductionStatus();
 /// Run all calculations in serial
   bool runInSerial() const ;
-/// Get the list of tasks that are active
-  std::vector<unsigned>& getListOfActiveTasks( ActionWithVector* action );
 /// Check if the arguments of this action depend on thearg
   bool argumentDependsOn( const std::string& headstr, ActionWithVector* faction, Value* thearg );
 /// This sets up the arguments at the start of the calculation
@@ -142,6 +138,8 @@ class ActionWithVector:
 /// Return a pointer to the first action in the chain
   const ActionWithVector* getFirstActionInChain() const ;
   ActionWithVector* getFirstActionInChain();
+/// Get the list of tasks that are active
+  virtual std::vector<unsigned>& getListOfActiveTasks( ActionWithVector* action ); 
 /// This is overridden in ActionWithMatrix
   virtual void getAllActionLabelsInMatrixChain( std::vector<std::string>& matchain ) const {}
 /// Get the number of derivatives in the stream