add dos2unix

deepmodeling · Nov 23, 2024 · e16cf76 · e16cf76
1 parent 71323e5
commit e16cf76
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/tools/cp2k2xyz/xyz2cp2k.sh b/tools/cp2k2xyz/xyz2cp2k.sh
@@ -9,6 +9,8 @@ export PATH=$PATH:/home/chen/software/cp2k-2024.1/exe/local
 xyz_file="trj.xyz"
 template_inp="test.inp"
 
+dos2unix ${xyz_file} ${template_inp}
+
 # Set the number of cores
 num_cores=48  # You can change this value as needed