From 5a9b3a3f51fdfa49cc3d385162c4902cce2866d4 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 3 Jul 2018 15:37:05 +0200 Subject: [PATCH] Fixed GAMESS interface --- scripts/ezfio_interface/qp_convert_output_to_ezfio.py | 1 - 1 file changed, 1 deletion(-) diff --git a/scripts/ezfio_interface/qp_convert_output_to_ezfio.py b/scripts/ezfio_interface/qp_convert_output_to_ezfio.py index 549c4691..4d215f7f 100755 --- a/scripts/ezfio_interface/qp_convert_output_to_ezfio.py +++ b/scripts/ezfio_interface/qp_convert_output_to_ezfio.py @@ -324,7 +324,6 @@ def write_ezfio(res, filename): ezfio.set_electrons_elec_beta_num(n_beta) except: - raise ezfio.set_pseudo_do_pseudo(False) else: ezfio.set_pseudo_do_pseudo(True)