Zhiyi Wu

@awvwgk Thanks for the in-depth explanation. I wonder if there is any keyword that I could use to transfer all the files generated by crest to a specified folder or...

@lauri-codes I will give it a try. I wonder how should one pass elements to pycp2k?

Thanks for posting this issue. I will have a more close read of this when I have time. I have two quick questions. - Will the new implementation change the...

> This function, which should return a "file parsed object FEData", whenever it encounters some problem reading the file, just prints a descriptive WARNING and switches an internal variable invalid...

Yes, I think this is reasonable.

> I was thinking, it could be interesting to have the energy_unit attribute that we now have attached to every parsed DataFrame also attached to the estimators? We want a...

> In the docs delta_f_ and the other attributes of the estimators are stated to be "dimensionless", while they are indeed in the dimension of the DataFrame to which the...

> then accessing the estimator somewhere else in the code he could forget he had altered it and print delta_f_ and d_delta_f_ which are in different units Make sense, I...

@orbeckst Do you mind review this PR, please? Note that the coverage is not as high as we want due to ``` for i in range(out_length): if all(conv[i:]): return i...

@VOD555 Thanks for the review. I have returned the forward and backward as dataframe now.