Open danialWang opened 4 weeks ago
Can you try update your pymatgen version?
Hi Bowen, Thank you for your quick response. I did use the latest version of pymatgen (2024.6.4). I found in the source code of pymatgen.core.Structure, there is a todo note, which may related to the error as I received. I have attach the code below. This line has been noted from 10-2023 version of Pymatgen. Is it possible the errors comes from the Pymatgen? Do you have any suggestions to solve the issue? Thanks!
def __getitem__(self, ind: int | slice) -> Site:
Email (Optional)
No response
Version
v0.3.8
Which OS(es) are you using?
What happened?
I am trying to json data and get the structures, energies and forces as shows in the fine_tuning.ipynb. However, there is an error in reading the json data. The error message shows the list indices was set as a string rather than integers.
Code snippet
Log output
Code of Conduct