diff --git a/bin/qp_convert_h5_to_ezfio b/bin/qp_convert_h5_to_ezfio index 61a691c4..8b7c038d 100755 --- a/bin/qp_convert_h5_to_ezfio +++ b/bin/qp_convert_h5_to_ezfio @@ -76,6 +76,8 @@ def convert_mol(filename,qph5path): ezfio.set_nuclei_nucl_charge(nucl_charge) 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_io_nuclear_repulsion('Read')