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[Feat]: MatterSim pair_style for LAMMPS #88

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Dankomaister opened this issue Jan 24, 2025 · 0 comments
Open
2 of 4 tasks

[Feat]: MatterSim pair_style for LAMMPS #88

Dankomaister opened this issue Jan 24, 2025 · 0 comments

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@Dankomaister
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Dankomaister commented Jan 24, 2025

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Feature Description

Hi!

We (CMCM/IBS Korea) have tested MatterSim and found it very useful for our research.
However only being able to use MatterSim in ASE is quite limiting.
Therefore, it would be great if we could have a pair_style for LAMMPS so that we can take advantage of the advanced features of LAMMPS.

/Daniel

Motivation

To unlock the true potential of MatterSim for advanced MD simulations in LAMMPS :)

Proposed Solution

No response

Contribution Interest

  • I'm interested in potentially implementing this feature
  • I can provide guidance, but cannot implement
  • I'm just suggesting the feature for the community

Code of Conduct

  • I agree to follow the project's Code of Conduct
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