Christoph Ortner

It is easy to make a stable Ddet using the SVD. Yes it is slower, but it is not less accurate, where did you hear that? As a matter of...

Interesting thought about the epsn on the diagonal. But what do you do if the matrix is singular and the LU decomposition won't even compute?

> The fact this works indicates that there's a cancellation of tiny numbers happening in the LU rule this is correct and can be checked with a quick round-off error...

Here is an interesting effect that I am guessing is related? ```Julia using ForwardDiff, StaticArrays # - ForwardDiff 0.7.3 # - StaticArrays 0.6.6 u = x -> (1.0 + norm(x)^2)^(-1/2)...

I was unfortunately unaware of this package until now. (Or maybe I saw it and have forgotten...) Anyhow, I wonder whether there is any chance to combine Molly and JuLIP,...

Regarding the neighbourlist - this is surely something that we can share. I believe my list is fairly fast, it is based on `matscipy`. The main downside for Molly is...

or extract shared functionality so that JuLIP and Molly become effectively frontends...

Some of this I do in JuLIP, though not yet as well as I’d like, it needs more cleanup to get proper type-agnostic code eg. - Another reason maybe to...

It would be an interesting proposition and a small step towards replacing lammps

this is old now, but as I am starting to potentially use this package, I wanted to add I like both the call overloading and the `evaluate` better than any...