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When constructing MPO based on MolList it is possible to choose star representation or chain representation. As far as I know, the chain representation is seldomly used and not well tested. Besides, the task of choosing representation would be advanced to writing the model if MolList2 is used and the inconsistency constitutes a barrier to combine MolList and MolList2.
It'll probably be a good idea to remove the chain representation, which IMO is a legacy of the old ephMPS.
The text was updated successfully, but these errors were encountered:
When constructing MPO based on
MolList
it is possible to choose star representation or chain representation. As far as I know, the chain representation is seldomly used and not well tested. Besides, the task of choosing representation would be advanced to writing the model ifMolList2
is used and the inconsistency constitutes a barrier to combineMolList
andMolList2
.It'll probably be a good idea to remove the chain representation, which IMO is a legacy of the old
ephMPS
.The text was updated successfully, but these errors were encountered: