Daniel Smith
Daniel Smith
Can you expand a bit on why the interface would grow in complexity? I think the syntax proposed above is relatively straight forward, unless we want to consider optimization across...
Would it be better to allow a scaling factor for different operational types? I think only the calling function would know if the operation could fit specific TPU requirements. ```python...
Its a good point on the inner product these days. When this was first started and the FLOP code was written FMA was pretty bleeding edge and not generally available....
We talk about this some in #103. We can optimize the indices for a single contraction assuming that it is in C order, but it may cause issues down the...
Currently `opt_einsum` only concerns itself with contract order and not the optimization of individual pair contractions. There is some notions that we could do this kind of optimization here, but...
@jcmgray Good point there, this could fall under the "things we should always check for" like the Hadamard product issue that is coming up. This would be cheap `collapse =...
Yup, lets split this out into an issue and see how hard it would be to add in a uniform manner.
Can we think of edge cases here that #114 will not fix the scaling for?
Cool, no objections here.
What does symbols and geometry look like for EFP? Can we fake it for a normal molecule? A blank molecule should be doable, I think we only need to change...