Reduced the size of the forces array that is manipulated in matrix ve…

…ctor multiplication
plumed · Jul 25, 2024 · e0f5606 · e0f5606 · PlumedBot · Jul 25, 2024
1 parent 1889cf1
commit e0f5606
Showing 1 changed file with 6 additions and 0 deletions.
diff --git a/src/core/ActionWithVector.cpp b/src/core/ActionWithVector.cpp
@@ -703,6 +703,12 @@ bool ActionWithVector::checkForForces() {
   getNumberOfStreamedQuantities( getLabel(), nquants, nmatrices, maxcol, nbooks );
   // 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 ) {
+      nderiv = 0; 
+      for(unsigned i=0; i<getNumberOfArguments(); ++i) {
+          arg_deriv_starts[i] = nderiv; nderiv += getPntrToArgument(i)->getNumberOfStoredValues();
+      }
+  }
   if( forcesForApply.size()!=nderiv ) forcesForApply.resize( nderiv );
   // Clear force buffer
   forcesForApply.assign( forcesForApply.size(), 0.0 );