Christoph Ortner

Rules for det are not general and likely unstable

8

```julia A = [1.0 1.0; 1.0 1.0] det(A) * inv(A) # ERROR: SingularException(2) ``` to be fair, the LU approach is remarkably resiliant... ```julia A = [1.0 1.0; 1.0 1.0-1e-16]...

Is there a reason that `abs` not supported by `differentiate` or just an omission?

StaticArrays

15

This must have been asked before but I couldn’t find a reference: the package doesn’t seem to support StaticArrays, is there a plan / possibility to do so?

Minimum Width for REPL

7

Would it be possible to introduce a minimum width setting for the REPL? I often push my REPL to the side to have more space in the editor, but then...

Multithreading bug

1

I observe this in ACEatoms on the `co/compat` branch with the following setup: ``` (ACEatoms) pkg> status Project ACEatoms v0.0.12 Status `~/gits/ACEatoms.jl/Project.toml` [3e8ccfd2] ACE v0.12.37 [14bae519] ACEbase v0.2.4 `~/gits/ACEbase.jl` [945c410c]...

cf discussion in Slack.

Collecting a long todo-list for a long-overdue cleanup * [x] download of example potential files during build or on command * [ ] Atoms FIO: for the time being we...

Time to take AD seriously

3

It looks like `Zygote.jl` is already very good and with some hacks can come very close to hand-coded gradients: https://discourse.julialang.org/t/zygote-performance/29028 It is probably time to have default AD gradients for...

- provide convenient interface to downloading and installing potentials from online repositories - Consider removing the remaining test potentials from the git history.

JuLIP and Molly

2

What is the future for `JuLIP.jl` when [`Molly.jl`]() is moving far ahead in terms of features? A possibility would be to further emphasis interatomic potential implementations in `JuLIP` while `Molly`...