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Commit e50aa9ea authored by Marcin Kirsz's avatar Marcin Kirsz
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Update README.md

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          # Tadah!LAMMPS
          This is a LAMMPS plugin required to run interatomic potentials developed with **Tadah!MLIP**. It's also needed for building **Tadah!MLIP** with HPO. Please refer to the online documentation in this case.
          This repository provides the LAMMPS library (`tadah.lammps`) and plugin (`ML-TADAH`) required to run interatomic potentials developed with **Tadah!MLIP**.
          **Note:** LAMMPS compiled with **Tadah!LAMMPS** is also needed for building **Tadah!MLIP** with hyperparameter optimization toolkit (HPO module). Please refer to the online documentation for more information.
          [https://tadah.readthedocs.io/](https://tadah.readthedocs.io/)
          ......@@ -10,6 +12,9 @@ In the near future, we intend to distribute this plugin with the LAMMPS source c
          1. Clone this repository to `lammps/lib`.
          The directory name must match the repository name: `tadah.lammps`.
          ```bash
          # cd to /path/to/lammps/lib
          git clone https://git.ecdf.ed.ac.uk/tadah/tadah.lammps.git
          2. In `lammps/src`, issue the following commands:
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