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1 parent 71323e5 commit e16cf76Copy full SHA for e16cf76
tools/cp2k2xyz/xyz2cp2k.sh
@@ -9,6 +9,8 @@ export PATH=$PATH:/home/chen/software/cp2k-2024.1/exe/local
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xyz_file="trj.xyz"
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template_inp="test.inp"
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+dos2unix ${xyz_file} ${template_inp}
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+
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# Set the number of cores
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num_cores=48 # You can change this value as needed
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