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qp_set_frozen_core is deactivated with pseudos
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@ -7,6 +7,9 @@ sys.path = [ os.environ["QP_ROOT"]+"/install/EZFIO/Python" ] + sys.path
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from ezfio import ezfio
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from ezfio import ezfio
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ezfio.set_filename(sys.argv[1])
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ezfio.set_filename(sys.argv[1])
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if ezfio.get_pseudo_do_pseudo:
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print "I will not set frozen core with pseudopotentials."
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sys.exit(0)
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nb = 0
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nb = 0
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for charge in ezfio.nuclei_nucl_charge:
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for charge in ezfio.nuclei_nucl_charge:
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