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set default nuclei/is_complex in converter
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@ -89,6 +89,7 @@ def write_ezfio(res, filename):
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# W r i t e #
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# W r i t e #
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# ~#~#~#~#~ #
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# ~#~#~#~#~ #
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ezfio.set_nuclei_is_complex(False)
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ezfio.set_nuclei_nucl_num(len(res.geometry))
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ezfio.set_nuclei_nucl_num(len(res.geometry))
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ezfio.set_nuclei_nucl_charge(charge)
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ezfio.set_nuclei_nucl_charge(charge)
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