Giuseppe Carleo

Hierarchy wise I think that abstract `Graph` should be inherited from the abstract `Geometry` or, we should have the constructors above accept both Graphs and Geometries (a bit less elegant),...

so we make `Particle` accept both `Geometry` and `Graph`? makes sense, it's just that a Graph however is a special form of Geometry ...

Ad hoc criteria based on some specific observable can be used but cannot be the default in my opinion. One could add something based on the rhat of the energy...

The discard time cannot depend on how many chains you have, it's an intrinsic property of the mcmc at hand, so anything that involves discarding a number of samples that...

Yes if it's opt in and you can decide what observable to use, I think it'd be a good addition indeed! On Sat, Aug 5, 2023, 11:46 Filippo Vicentini ***@***.***>...

If you want, the thing that shouldn't happen (and that maybe it's still happening in our default?) is to have a number of discarded samples that is proportional to the...

Yes agreed, the ten percent is too conservative for most use cases, I think we should change it at this point. 20 seems reasonable to me... I'm the vmc driver...

Is this a bug then?

It is true though that `PauliString` is much more efficient at removing duplicate connected elements, I wonder if for LocalOperators that can be converted to PauliString it makes sense to...

Yes for the position of the module, it's a secondary problem, but I also wouldn't put it in Graph. Anyways, there is time to think about that... In my view...