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quantum_package/scripts/ezfio_interface/convert_ezfio.sh

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2015-03-30 11:21:34 +02:00
#!/bin/bash
# Convert a old ezfio file (with option.irp.f ezfio_default)
# into a new EZFIO.cfg type
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mv $1/Hartree_Fock $1/hartree_fock
mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf