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using ui_parameters to set the report (aiidalab#910)
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* using base.attributes.get(value)
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AndresOrtegaGuerrero authored and edan-bainglass committed Oct 31, 2024
1 parent b3356ab commit 424141f
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions src/aiidalab_qe/app/result/summary_viewer.py
Original file line number Diff line number Diff line change
Expand Up @@ -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,
Expand Down Expand Up @@ -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

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