What tolerance should I use for scipy.optimize.minimize?

[AhmedCode99]

Is there a good way of knowing how much tolerance I need?

[tirthbha]

@AhmedCode99 I think it is automatically detected by the algorithm that we have used for the optimization. For example, in our case, wee have used BFGS algorithm, which minimize potential of the cubical structure in 32 steps.

[pratibha77118]

Ya I do think the same. We have not used the any tolerance value beside that the constants defined to estimate the potential energy.

[yasmensarhan27]

as mentioned in the Main Nacl.py it is BFGS @AhmedCode99

[AhmedCode99]

This is interesting and somewhat useful