Yonatan Kurniawan

Thanks for this quick fix. This works for me, at least with some optimizers. If I use `scipy.optimize.least_squares`-based optimizer. ```Python --------------------------------------------------------------------------- AttributeError Traceback (most recent call last) /nobackup/scratch/usr/yonatank/practice/KLIFF/bootstrap/SW_multicalculators.py in 110...

@mjwen Thanks for bringing this up! I actually noticed that the repo hasn't been maintained for a long time. However, it had not caused any major issues for me, so...

Hi @ipcamit. I think we should modify [L177](https://github.com/openkim/kliff/blob/master/kliff/dataset/weight.py#L177) as ``` sigma = np.array([np.linalg.norm(c1, c2 * dn) for dn in data_norm]) ``` The equation in the [documentation](https://kliff.readthedocs.io/en/latest/modules/dataset.html#magnitude-inverse-weight) is for per data...

Yes, I did. I think it is resolved.

> * A lot of stuff are not in functions, but in module level (for example, lines 28--70 in this file). Is it possible to move them into functions and...

I assume you are referring to, for example, lines 28--79 in test_mcmc.py? Those lines are for getting data to use in mcmc test. I can see it now that there...

I see. This is a new thing for me. Thanks for telling me about it. I will work on this if you want. I might be slow, though.