I'm making this a quick PR to document the change. Anybody currently working on ACE.jl should take a look at those changes please (@zhanglw0521 @MatthiasSachs @andresrossb ). They are also described a bit in the documentation. But the best way is probably to just look at the changes to the test scripts.
I'm making this a quick PR to document the change. Anybody currently working on ACE.jl should take a look at those changes please (@zhanglw0521 @MatthiasSachs @andresrossb ). They are also described a bit in the documentation. But the best way is probably to just look at the changes to the test scripts.