mirror of
https://github.com/LCPQ/quantum_package
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12 lines
247 B
Bash
Executable File
12 lines
247 B
Bash
Executable File
#!/bin/bash
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# $1 name
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# $2 mult
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echo "name" $1
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echo "basis" $2
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echo "mul" $3
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echo "\`get_basis.sh\` need to be changed"
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rm -R $1.ezfio
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qp_create_ezfio_from_xyz $1.xyz -b $2 -m $3
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~/quantum_package/scripts/pseudo/put_pseudo_in_ezfio.py $1.ezfio |