diff --git a/tools/cp2k2xyz/xyz2cp2k.sh b/tools/cp2k2xyz/xyz2cp2k.sh index 19723fb49..7b17d90fa 100644 --- 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