TypeError running example

[krl52]

Hello,
I am working on trying to install the code and run the GCMC example scripts for argon and NH3-Pt. I am experiencing the following issue:

Traceback (most recent call last):
File "ASE-MC_ESI-main/examples/gcmc/argon/asemc/run.
py", line 84, in ‹module> dyn. run ( 10000)
File "/opt/homebrew/Caskroom/mambaforge/base/lib/python3.10/site-package
s/ase/mc/mc.py", line 197,
in run
return Dynamics. run (self)
File "/opt/homebrew/Caskroom/mambaforge/base/lib/python3.10/site-package
s/ase/optimize/optimize.py", line 286, in run
for converged in Dynamics. irun (self, steps=steps) :
File "/opt/homebrew/Caskroom/mambaforge/base/lib/python3.10/site-package
s/ase/optimize/optimize.py", line 249, in irun
is_converged = self. converged (gradient)
TypeError: MonteCarlo.converged() takes 1 positional argument but 2 were g
iven

I have tried to look at the source code that is referenced above, but I am unclear on why this is an issue. Could you offer some suggestions to resolve the issue?
Thanks very much in advance!

[potus28]

Hi @krl52 , apologies for the delay in getting to you, but thank you very much for your interest in our code! There was an issue similar to this raised in another issue thread, I believe it may be an issue with extra arguments being passed into the MonteCarlo.converged() method in a newer version of ASE than what we originally designed ASE-MC for. Let me take a look at this and I will get back to you within the next few days. Thanks!