diff --git a/tools/readme.md b/tools/readme.md index 96c566cb..ed5f5891 100644 --- a/tools/readme.md +++ b/tools/readme.md @@ -50,5 +50,3 @@ | `somd` | https://github.com/initqp/somd | `SOMD` is an ab-initio molecular dynamics (AIMD) package designed for the SIESTA DFT code. The SOMD code provides some common functionalities to perform standard Born-Oppenheimer molecular dynamics (BOMD) simulations, and contains a simple wrapper to the Neuroevolution Potential (NEP) package. The SOMD code may be used to automatically build NEPs by the mean of the active-learning methodology. | | `NepTrainKit` | https://github.com/aboys-cb/NepTrainKit | `NepTrainKit` is a Python package for visualizing and manipulating training datasets for NEP. | -## CPU version of NEP -We also provide an interface for [LAMMPS](https://github.com/lammps/lammps), allowing users to utilize NEP on CPUs via [NEP_CPU](https://github.com/brucefan1983/NEP_CPU).