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consider adopting the Skye EOS

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Assessment

Difficulty
5/5
Estimated time
Over a week
Newbie friendliness
20/100
Issue type
Feature
Clarity
Needs clarification
Activity status
Stale
Tech stack
cpp
Domain
hpc

Research direction

Start by reading the linked Skye EOS paper and checking the repository's existing EOS implementations and licensing constraints. Define whether adoption is feasible and what C++ interface and validation work would be required; the issue currently names no files, tests, or completion criterion.

Written by the indexing model from the issue text.

Description

EOS

This EOS:

https://arxiv.org/abs/2104.00691v1

has a more consistent treatment of Coulomb effects

The license appears to be LGPL, so I am not sure if we could directly use it, but we'd need to rewrite it as templated C++ anyway.

Dominant language
C++
Stars
44
Forks
46
Avg merge
3d 7h
Merged PRs (30d)
10

Getting set up

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First steps

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  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

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