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Update README.md
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brucefan1983 authored Sep 18, 2022
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# The NEP-LAMMPS interface

* Which versions of LAMMPS are supported?
No older than the 20220324 version: https://github.com/lammps/lammps/releases/tag/patch_24Mar2022
* Applies to LAMMPS that is no older than the [20220324 version](https://github.com/lammps/lammps/releases/tag/patch_24Mar2022).

* The NEP-LAMMPS interface consists of the following files:
* `interface/lammps/install.sh`
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pair_coeff * *
```

* Speed information
* The computational speed of NEP in LAMMPS with one CPU thread is about 1/1000 of that of NEP in GPUMD with one A100 GPU.
* Speed information: NEP-LAMMPS with 1 CPU can achieve about 1/1000 of the speed of NEP-GPUMD with one A100 GPU.

# Citation

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