From 68ccd1f437b8cd0aee6382845e72cf45349988c5 Mon Sep 17 00:00:00 2001 From: Sergey Pozdnyakov Date: Fri, 19 Apr 2024 19:32:06 +0200 Subject: [PATCH] fix --- README.rst | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/README.rst b/README.rst index 1a09676..18906ae 100644 --- a/README.rst +++ b/README.rst @@ -25,12 +25,13 @@ See the documentation for more details. Ecosystem +++++++++ -.. image:: /figures/pet_ecosystem_figure.svg +.. image:: /figures/ecosystem.svg :alt: Ecosystem overview :align: center "`LAMMPS `_, `i-pi `_, and `ASE.MD `_ are molecular simulation engines. + `MTM `_ enables the creation of a single interface for models such as PET to use them immediately in multiple simulation engines. Currently, this is implemented for LAMMPS and ASE.MD, with plans to extend it to additional engines in the future. All MD interfaces are currently under development and are not stable. The :bash:`pet_train` and :bash:`pet_run` scripts are now semi-stable. @@ -59,4 +60,4 @@ References [1] Sergey Pozdnyakov, and Michele Ceriotti 2023. Smooth, exact rotational symmetrization for deep learning on point clouds. In Thirty-seventh Conference on Neural Information Processing Systems. -.. inclusion-marker-preambule-end-second \ No newline at end of file +.. inclusion-marker-preambule-end-second