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Nike Dattani
Nike Dattani
18:53
@TristanMaxson there's a bounty on an ASE question with 2 days left, that I thought might be worth bringing to your attention:
2
Q: How to run simulation box relaxation with EAM callculator in ASE

Pranav kumarI am trying to use EAM calculator in ASE. I want to perform simulation box relaxation with EAM potential. The code is working fine with EMT but fails in EAM as stress property is not implemented with EAM calculator. Any suggestion to solve this problem? from ase.calculators.eam import EAM from as...

atomic-simulation-environment
Let me know if you don't want to receive pings about this type of thing in the future! I know you earlier had concerns about pings when talking about Meta topics.
@Fabian as the user with the most upvotes on the ASE tag, I'm pinging you too!

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