search

AIforGreatGood / charge3net

Higher-order equivariant neural networks for charge density prediction in materials
https://www.nature.com/articles/s41524-024-01343-1
MIT License
38 stars 12 forks source link

return: MPRester' object has no attribute 'charge_density' #2

Closed kk154 closed 3 months ago

kk154 commented 3 months ago

when i use : python download/download_materials_project.py \ --out_path ./data/mp_raw \ --workers WORKERS \ --task_id_file ./data/mpid_to_task_id_map.json \ --mpi_api_key <"Your MP API Key">， return: MPRester' object has no attribute 'charge_density'

kk154 commented 3 months ago

ruturn: Retrieving TaskDoc documents: 100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████████| 1/1 [00:00<00:00, 60787.01it/s] 'MPRester' object has no attribute 'charge_density' and I don't have the CHGCAR

teddykoker commented 3 months ago

cc @keeganq

Hi @kk154,

It appears the Materials Project API made some changes to their interface and underlying API that make it no longer accessible to get charge densities from task IDs. I have opened an issue about this here. I have also pushed a quick fix to the mp-download-fix branch; you can run with git pull && git checkout mp-download-fix, then try running the download script again.

kk154 commented 3 months ago

thanks