mirror of
https://github.com/LCPQ/quantum_package
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13 lines
369 B
Bash
13 lines
369 B
Bash
#!/bin/bash
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# Convert a old ezfio file (with option.irp.f ezfio_default)
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# into a new EZFIO.cfg type
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# Hartree Fock
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# Changin the case, don't know if is needed or not
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mv $1/Hartree_Fock $1/hartree_fock
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mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf
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mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf
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# BiInts
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mv $1/bi_integrals $1/bielect_integrals |