From 424141fb486c4003bc8c57543a38ad0172f60b62 Mon Sep 17 00:00:00 2001 From: Andres Ortega-Guerrero <34098967+AndresOrtegaGuerrero@users.noreply.github.com> Date: Thu, 31 Oct 2024 12:37:51 +0100 Subject: [PATCH] using ui_parameters to set the report (#910) * using base.attributes.get(value) --- src/aiidalab_qe/app/result/summary_viewer.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/aiidalab_qe/app/result/summary_viewer.py b/src/aiidalab_qe/app/result/summary_viewer.py index 56fc24505..8b2e8be25 100644 --- a/src/aiidalab_qe/app/result/summary_viewer.py +++ b/src/aiidalab_qe/app/result/summary_viewer.py @@ -105,7 +105,9 @@ def generate_report_parameters(qeapp_wc): energy_cutoff_wfc = pw_parameters["SYSTEM"]["ecutwfc"] energy_cutoff_rho = pw_parameters["SYSTEM"]["ecutrho"] occupation = pw_parameters["SYSTEM"]["occupations"] - scf_kpoints_distance = qeapp_wc.inputs.relax.base.kpoints_distance.value + scf_kpoints_distance = ( + qeapp_wc.inputs.relax.base.kpoints_distance.base.attributes.get("value") + ) report.update( { "energy_cutoff_wfc": energy_cutoff_wfc, @@ -146,7 +148,7 @@ def generate_report_parameters(qeapp_wc): if "pdos" in qeapp_wc.inputs: report["nscf_kpoints_distance"] = ( - qeapp_wc.inputs.pdos.nscf.kpoints_distance.value + qeapp_wc.inputs.pdos.nscf.kpoints_distance.base.attributes.get("value") ) return report