Feb 20, 2024, 9:15 AM

Dear @Joseph-1 ,

The mentioned limitation was mainly for the performance on average laptops some years ago. You can try using UFF/IM-UFF on bigger systems - I used it on systems with thousands and tens of thousands of atoms.

It is possible to launch the simulation using Python, but to improve the performance, you can simply increase the number of steps with which the viewport is updated in the chosen State Updater - this should improve the speed.

172cc621-1e2d-4614-ab62-62d419941f82-image.png (here the positions of the system in the viewport will be updated every 100 steps).

You can use IM-UFF for non-interactive simulations as well, or simply try using UFF (IM-UFF is an advanced and interactive version of UFF).

Please note, that, for now, it does not support periodic boundary conditions. But if you want you can freeze atoms at the boundaries, see for example:

Please let us know if you have any questions.