# initqp/somd

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17 stars · 2 forks · Python · AGPL-3.0

## Links

- GitHub: https://github.com/initqp/somd
- awesome-repositories: https://awesome-repositories.com/repository/initqp-somd.md

## Description

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…

## Tags

### Part of an Awesome List

- [Molecular Dynamics](https://awesome-repositories.com/f/awesome-lists/data/molecular-dynamics.md) — Molecular dynamics package optimized for SIESTA DFT code.