From 5dd0a1c9bd09c1da0926cdd6c074b00507ab4dbb Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Wed, 29 Jul 2020 17:36:28 -0500 Subject: [PATCH] fix for bytes/string conversion --- bin/qp_convert_h5_to_ezfio | 2 ++ 1 file changed, 2 insertions(+) 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')