From 1775706fc54e955232bc30d8aaa749a8db6b487b Mon Sep 17 00:00:00 2001
From: cyfraysse <fraysse.cyprien@gmail.com>
Date: Mon, 13 Apr 2026 09:12:03 +0200
Subject: [PATCH] fix run.sh: explicit density list and fix output path

---
 .../1-create-config-right-density/run.sh             | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/examples/ortho-terphenyl/1-create-config-right-density/run.sh b/examples/ortho-terphenyl/1-create-config-right-density/run.sh
index b54339f..d855a2a 100644
--- a/examples/ortho-terphenyl/1-create-config-right-density/run.sh
+++ b/examples/ortho-terphenyl/1-create-config-right-density/run.sh
@@ -2,15 +2,15 @@
 
 uv run --script create-initial-config.py
 
-density=0.2
+densities=(0.2 0.22 0.24 0.27 0.30 0.33 0.36 0.40 0.44 0.48 0.53 0.58 0.64 0.70 0.77 0.85 0.93 1.02 1.12 1.2)
 
-while (( $(echo "$density < 1.2" | bc -l ) ))
+for density in "${densities[@]}"
 do
     echo "Density" $density
-
     sed "s/DENSITY/$density/" params-template.toml > params.toml
     particlesmc params.toml
-    cp trajectories/1/lastframe.xyz inputframe.xyz
-
-    density=$(echo "$density" | awk '{printf "%f", $1 * 1.1}')
+    cp chains/1/lastframe.xyz inputframe.xyz
+    echo "Done density: $density"
 done
+
+echo "Final density: $density"
\ No newline at end of file