Jianli Cheng

I think the reason is that you only have one species in your trajectory, therefore, your `framework_indices` is empty. A quick fix could be the following: ```python: if len(framework_indices) ==...

@seanwong16 I am having the same problem too. My system is LixNiO2, which is very similar to your LixCoO2. I have tried using the input parameter of mu_Li in gcmc,...

@bpuchala Thanks for your reply. It seems that I cannot use the `param_chem_pot` for free energy integration, and I should use `chem_pot` instead. You mentioned `chem_pot(A) = dg/dx(A)`, which means...