void ActionWithAveraging::update() {
if( (clearstride!=1 && getStep()==0) || !onStep() ) return;
// Clear if it is time to reset
if( myaverage ) {
if( myaverage->wasreset() ) clearAverage();
}
// Calculate the weight for all reweighting
if ( weights.size()>0 ) {
double sum=0; for(unsigned i=0; i<weights.size(); ++i) sum+=weights[i]->get();
lweight=sum; cweight = exp( sum );
} else {
lweight=0; cweight=1.0;
}
// Prepare to do the averaging
prepareForAveraging();
// Run all the tasks (if required
if( useRunAllTasks ) runAllTasks();
// This the averaging if it is not done using task list
else performOperations( true );
// Update the norm
if( myaverage ) myaverage->setNorm( cweight + myaverage->getNorm() );
// Finish the averaging
finishAveraging();
// By resetting here we are ensuring that the grid will be cleared at the start of the next step
if( myaverage ) {
if( getStride()==0 || (clearstride>0 && getStep()%clearstride==0) ) myaverage->reset();
}
}
void ActionWithGrid::calculate(){
// Do nothing if derivatives are not required
if( doNotCalculateDerivatives() ) return;
// Clear on every step
if( mygrid ) clearAverage();
// Should not be any reweighting so just set these accordingly
lweight=0; cweight=1.0;
// Prepare to do the averaging
prepareForAveraging();
// Run all the tasks (if required
if( useRunAllTasks ) runAllTasks();
// This the averaging if it is not done using task list
else performOperations( true );
// Update the norm
if( mygrid ) mygrid->setNorm( cweight );
// Finish the averaging
finishAveraging();
// And reset for next step
if( mygrid ) mygrid->reset();
}
