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Currently the overlap matrix is associated with some matrices through an extra dimension.
However, this turns out to be relatively problematic down the road when we want only to do stuff on the Hamiltonian.
It however, also possess some nice things because the overlap matrix is explicitly present.
In principle it would be ideal if the overlap matrix is associated through the explicit Overlap object, it will definitely complicate matters, but on the other hand it could implicitly allow different sparsity patterns, as well as streamlining the usage.
The text was updated successfully, but these errors were encountered:
Describe the feature
Currently the overlap matrix is associated with some matrices through an extra dimension.
However, this turns out to be relatively problematic down the road when we want only to do stuff on the Hamiltonian.
It however, also possess some nice things because the overlap matrix is explicitly present.
In principle it would be ideal if the overlap matrix is associated through the explicit
Overlap
object, it will definitely complicate matters, but on the other hand it could implicitly allow different sparsity patterns, as well as streamlining the usage.The text was updated successfully, but these errors were encountered: