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
dataset_dict = read_json("./my_vasp_calc_dir/chgnet_dataset.json")
structures = [Structure.from_dict(struct) for struct in dataset_dict["structure"]]
energies = dataset_dict["energy_per_atom"]
forces = dataset_dict["force"]Log output
Traceback (most recent call last):
File "/kfs3/scratch/dwang19/storage/data/wzy/LGFCBI/chgnet/reading.py", line 33, in <module>
structures = [Structure.from_dict(struct)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/dwang19/miniforge/envs/lammps/lib/python3.12/site-packages/pymatgen/core/structure.py", line 2814, in from_dict
lattice = Lattice.from_dict(dct["lattice"])
~~~^^^^^^^^^^^
File "/home/dwang19/miniforge/envs/lammps/lib/python3.12/site-packages/pymatgen/core/structure.py", line 218, in __getitem__
return self.sites[ind] # type: ignore[return-value]
~~~~~~~~~~^^^^^
TypeError: list indices must be integers or slices, not strCode of Conduct
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