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LeMonADE-project / LeMonADE

Library for Monte Carlo Simulation applying the Bond Fluctuation Model
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FeatureExcludedVolume: Move for adding monomers not implemented #4

Closed hrabbel closed 8 years ago

hrabbel commented 8 years ago

The FeatureExcludedVolume::applyMove(IngredientsType&,MoveAddScMonomer&) must be implemented. Otherwise the lattice occupation will not be set up consistently when using the MoveAddScMonomer, which is potentially very dangerous.

On the other hand: Should this feature be discontinued anyways? See related issue.

Bondoki commented 8 years ago

Honestly, I have to admit, I did not used MoveAddScMonomer at all. Most creation updaters are plain ScBFM by directly checking the vicinity, but I know this move MoveAddScMonomer is powerful and useful at all. I agree that the interface should be provided. And refering to the other open issue: maybe we write an general ExVolFeature or provide only two specialized variants ScBFM and BccBFM.

MartinWenge commented 8 years ago

I would suggest to provide two separated features for excluded volume as proposed by Ron. At the beginning you have to make the choice of your model either Sc or Bcc BFM, being physically different realisations of a coarse-grained MC model. So we make a clear distinction between the models and avoid conflicts due to different implementations of the respective functions. Then we can implement an FeatureExcludedVolumeSc::apllyMove(IngredientsType&,MoveAddMonomer&) and FeatureExcludedVolumeBcc::apllyMove(IngredientsType&,MoveAddMonomer&).

hrabbel commented 8 years ago

I totally agree.

MartinWenge commented 8 years ago

This bug was fixed by #33