From 4a626da53de405c5a0ef46abe59b849febb9e5fc Mon Sep 17 00:00:00 2001
From: adaramo2 <adaramo2@ed.ac.uk>
Date: Fri, 28 Mar 2025 08:21:21 +0000
Subject: [PATCH] Edit SB_xyz.py
---
src/SB_xyz.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/SB_xyz.py b/src/SB_xyz.py
index dafd3bb..3729502 100755
--- a/src/SB_xyz.py
+++ b/src/SB_xyz.py
@@ -123,7 +123,7 @@ def main():
# Move the generated .xyz file to the DFT_box folder and rename it.
original_xyz = f"{filename}append.xyz"
- new_xyz = f"{filename}.xyz"
+ new_xyz = f"{filename}acc.xyz"
source_path = os.path.join(base_dir, original_xyz)
target_path = os.path.join(target_dir, new_xyz)
if os.path.exists(source_path):
@@ -143,4 +143,4 @@ def main():
current_i += step
if __name__ == "__main__":
- main()
+ main()
\ No newline at end of file
--
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