Which aimnet2calc to use

[thorben-frank]

Hi all,

thank you for your efforts in developing AIMNet2. While I was playing around with the ASE calculator, I found that energy (and forces) do not change when updating positions. This seems to be the same as in issue #30 which I believe has been fixed in the AIMNet2 repository (at least one commit suggests this).

I followed installation in the README, and installed from here https://github.com/zubatyuk/aimnet2calc, where the issue seems not to be fixed.
Therefore, I am wondering if I should use AIMNet2 or the aimnet2calc repository during installation? When I install from AIMNet2 repository it actually works well. Is it okay to use model calculator from AIMNet2 as I want to make sure to use the correct model for comparison.

Best,
Thorben