From 2c6fc544484023409eb357205fd9804aece1a77d Mon Sep 17 00:00:00 2001 From: JosePizarro3 Date: Fri, 27 Sep 2024 13:23:59 +0200 Subject: [PATCH] Fix parsing DFTPlusTB --- src/nomad_parser_wannier90/parsers/utils/utils.py | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/src/nomad_parser_wannier90/parsers/utils/utils.py b/src/nomad_parser_wannier90/parsers/utils/utils.py index 2606aa0..70b216e 100644 --- a/src/nomad_parser_wannier90/parsers/utils/utils.py +++ b/src/nomad_parser_wannier90/parsers/utils/utils.py @@ -60,6 +60,10 @@ def parse_dft_plus_tb_workflow( dft_task = dft_archive.workflow2 tb_task = tb_archive.workflow2 + dft_plus_tb.tasks = [ + TaskReference(task=dft_task), + TaskReference(task=tb_task), + ] # Check if main input and output of the `DFTPlusTB` workflow exist if not dft_task.m_xpath('inputs[0]') or not tb_task.m_xpath('outputs[-1]'): @@ -67,9 +71,4 @@ def parse_dft_plus_tb_workflow( dft_plus_tb.inputs = [dft_task.inputs[0]] dft_plus_tb.outputs = [tb_task.outputs[-1]] - dft_plus_tb.tasks = [ - TaskReference(task=dft_task), - TaskReference(task=tb_task), - ] - return dft_plus_tb