From e073bffde65f02d36813f2a26bf2f76197d4559e Mon Sep 17 00:00:00 2001
From: BOULANGEOT Nathan <nathan.boulangeot@univ-lorraine.fr>
Date: Wed, 12 Jun 2024 21:04:09 +0000
Subject: [PATCH] Update README.md

---
 README.md | 16 ++--------------
 1 file changed, 2 insertions(+), 14 deletions(-)

diff --git a/README.md b/README.md
index f48d94c..9fb0720 100644
--- a/README.md
+++ b/README.md
@@ -7,22 +7,10 @@ The codes uses SOAP descriptors throught the Dscribe Library, Machine Learning t
 
 This code purpose is to recreate Energy Adsorption Map (EAM) using machine learning.
 
+running file "run.py" will train a model using an ase ".traj" object as a training set. It then predict on a n X n regular grid above the POSCAR file the adsorption energy. Results are written on a ".txt" file.
 
-<!-- CONTACT -->
-## Contact
+train set file, POSCAR file, n value as well as parameters for the SOAP and Gaussian Process Regression can be modify in the "run.py" file.
 
-Your Name - 
-
-Project Link: 
-
-
-
-<!-- ACKNOWLEDGMENTS -->
-## Acknowledgments
-
-Use this space to list resources you find helpful and would like to give credit to. I've included a few of my favorites to kick things off!
-
-* [Choose an Open Source License](https://choosealicense.com)
 
 
 
-- 
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