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hackingmaterials / matminer_examples

A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
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The 'Structure' object? #60

Closed 1477983539 closed 4 years ago

1477983539 commented 4 years ago

Hello!How can I get the same format as the 'structure' field in the examples datasets? I only have some POSCAR files.Can someone help me? BestWishes!

computron commented 4 years ago 
from pymatgen import Structure
s = Structure.from_file("POSCAR")

Note - this is more a question for pymatgen, and help is through www.matsci.org

1477983539 commented 4 years ago

Thanks!