From 445399dd11bc8479b61729cc5015f357bf08e7d4 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Sat, 1 Feb 2025 14:52:14 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- README.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index e6fb9b3e..ab366c9e 100644 --- a/README.md +++ b/README.md @@ -167,7 +167,8 @@ with project: project.repro() ``` -We can now see that the files have been created in `nodes/StructureOptimization>/frames.traj` which contains our final trajectory. +We can now see that the files have been created in +`nodes/StructureOptimization>/frames.traj` which contains our final trajectory. To look at the results, we can also run the following Python script: ```python @@ -178,5 +179,6 @@ print(optm.frames) ``` For more examples checkout the following packages that build ontop of ZnTrack + - https://mlipx.readthedocs.io/en/latest/ - https://github.com/zincware/IPSuite