From 0f4f5faca376ffb24aac32bcae447893740dc90f Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 22 Feb 2022 10:08:23 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- aiidalab_qe/node_view.py | 14 ++++++++------ src/aiidalab_qe_workchain/__init__.py | 14 +++++++++++--- 2 files changed, 19 insertions(+), 9 deletions(-) diff --git a/aiidalab_qe/node_view.py b/aiidalab_qe/node_view.py index 3f7d90695..5e1b2e683 100644 --- a/aiidalab_qe/node_view.py +++ b/aiidalab_qe/node_view.py @@ -17,7 +17,7 @@ import traitlets from aiida.cmdline.utils.common import get_workchain_report from aiida.common import LinkType -from aiida.orm import CalcJobNode, Node, WorkChainNode, ProjectionData +from aiida.orm import CalcJobNode, Node, ProjectionData, WorkChainNode from aiidalab_widgets_base import ProcessMonitor, register_viewer_widget from aiidalab_widgets_base.viewers import StructureDataViewer from ase import Atoms @@ -130,15 +130,17 @@ def export_pdos_data(work_chain_node): pdos_orbitals = [] if "projections" in work_chain_node.outputs: - projection_list = [(work_chain_node.outputs.projections, None),] + projection_list = [ + (work_chain_node.outputs.projections, None), + ] else: projection_list = [ (work_chain_node.outputs.projections_up, "up"), - (work_chain_node.outputs.projections_down, "dn") + (work_chain_node.outputs.projections_down, "dn"), ] - tdos_values['dos | states/eV'] = ( - tdos_values.pop('dos_spin_up | states/eV') + tdos_values.pop('dos_spin_down | states/eV') - ) + tdos_values["dos | states/eV"] = tdos_values.pop( + "dos_spin_up | states/eV" + ) + tdos_values.pop("dos_spin_down | states/eV") for projections, suffix in projection_list: for orbital, pdos, energy in projections.get_pdos(): diff --git a/src/aiidalab_qe_workchain/__init__.py b/src/aiidalab_qe_workchain/__init__.py index 568e0e9ce..354955c5b 100644 --- a/src/aiidalab_qe_workchain/__init__.py +++ b/src/aiidalab_qe_workchain/__init__.py @@ -330,10 +330,18 @@ def results(self): ) self.out("dos", self.ctx.workchain_pdos.outputs.dos__output_dos) if "projections_up" in self.ctx.workchain_pdos.outputs.projwfc: - self.out("projections_up", self.ctx.workchain_pdos.outputs.projwfc.projections_up) - self.out("projections_down", self.ctx.workchain_pdos.outputs.projwfc.projections_down) + self.out( + "projections_up", + self.ctx.workchain_pdos.outputs.projwfc.projections_up, + ) + self.out( + "projections_down", + self.ctx.workchain_pdos.outputs.projwfc.projections_down, + ) else: - self.out("projections", self.ctx.workchain_pdos.outputs.projwfc.projections) + self.out( + "projections", self.ctx.workchain_pdos.outputs.projwfc.projections + ) def on_terminated(self): """Clean the working directories of all child calculations if `clean_workdir=True` in the inputs."""