From 5caf8a60a151a04120c9a028deaecf507703176f Mon Sep 17 00:00:00 2001 From: Jonathan Vandermause Date: Sun, 15 Sep 2024 00:37:52 -0400 Subject: [PATCH] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index bc9e1ce65..fb849ff13 100644 --- a/README.md +++ b/README.md @@ -33,7 +33,7 @@ Documentation of the code can be accessed here: https://mir-group.github.io/flar ### Google Colab Tutorials [FLARE (ACE descriptors + sparse GP)](https://colab.research.google.com/drive/1QcHf5FVU_juZOvQ49FliJVzhon8MJ6PO) -The tutorial shows how to run flare with ACE and SGP on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field. All the trainings use yaml files for configuration. +The tutorial shows how to run flare with ACE and SGP on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field. [FLARE (LAMMPS active learning)](https://bit.ly/flarelmpotf) This tutorial demonstrates new functionality for running active learning all within LAMMPS, with LAMMPS running the dynamics to allow arbitrarily complex molecular dynamics workflows while maintaining a simple interface. This also demonstrates how to use the C++ API directly from Python through `pybind11`. Finally, there's a simple demonstration of phonon calculations with FLARE using `phonopy`.