Hi, I would like output the forces acting on each atom at the end of a calculation. Is it possible?
Is this a QM computation? If so, it’s called a gradient, and it is going to make your computation more expensive. How much more depends on the method.
If this is not a QM computation, we’re going to need more detail about what you’re doing.
Yes it was the gradient, thanks.
Marked this as solved, then. Let us know if you have any other questions.