From 74306062b61e35523997d33726347cacf0113bb2 Mon Sep 17 00:00:00 2001
From: BOULANGEOT Nathan <nathan.boulangeot@univ-lorraine.fr>
Date: Wed, 12 Jun 2024 21:05:50 +0000
Subject: [PATCH] Update run.py
---
Minimum Working Exemple/run.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/Minimum Working Exemple/run.py b/Minimum Working Exemple/run.py
index 9042d0e..e78ee9e 100644
--- a/Minimum Working Exemple/run.py
+++ b/Minimum Working Exemple/run.py
@@ -19,8 +19,8 @@ from tool import *
if __name__ == '__main__':
#initialisation
atomseul='H' #atome adsorbed
- poscar_file='/mnt/beegfs/gzc01/iht74/THESE/Ag/POSCAR' #slab with no adsorbate
- data_folder='/mnt/beegfs/gzc01/iht74/THESE/Ag/H/data' #folder where decriptors are saved
+ poscar_file='POSCAR' #slab with no adsorbate
+ data_folder='.' #folder where decriptors are saved
train_file='train.traj'
atoms_train=Trajectory(train_file)
--
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