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fix for bytes/string conversion

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This commit is contained in:
Kevin Gasperich 2020-07-29 17:36:28 -05:00
parent ff9760b136
commit 5dd0a1c9bd
1 changed files with 2 additions and 0 deletions
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2
bin/qp_convert_h5_to_ezfio
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@ -76,6 +76,8 @@ def convert_mol(filename,qph5path):
ezfio.set_nuclei_nucl_charge(nucl_charge) ezfio.set_nuclei_nucl_charge(nucl_charge)
ezfio.set_nuclei_nucl_coord(nucl_coord) ezfio.set_nuclei_nucl_coord(nucl_coord)
if isinstance(nucl_label[0],bytes):
nucl_label = list(map(lambda x:x.decode(),nucl_label))
ezfio.set_nuclei_nucl_label(nucl_label) ezfio.set_nuclei_nucl_label(nucl_label)
ezfio.set_nuclei_io_nuclear_repulsion('Read') ezfio.set_nuclei_io_nuclear_repulsion('Read')