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temporarily disable opengrid workchain
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qiaojunfeng committed Sep 22, 2020
1 parent 6041f9d commit 1decab3
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion aiida_wannier90_workflows/workflows/bands.py
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Expand Up @@ -13,7 +13,7 @@
from aiida_quantumespresso.calculations.functions.create_kpoints_from_distance import create_kpoints_from_distance

from aiida_wannier90_workflows.workflows.wannier import Wannier90WorkChain
from aiida_wannier90_workflows.workflows.opengrid import Wannier90OpengridWorkChain
#from aiida_wannier90_workflows.workflows.opengrid import Wannier90OpengridWorkChain
from aiida_wannier90_workflows.utils.upf import get_number_of_electrons, get_number_of_projections, get_wannier_number_of_bands, _load_pseudo_metadata
from aiida_wannier90_workflows.calculations.functions.kmesh import convert_kpoints_mesh_to_list

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2 changes: 1 addition & 1 deletion examples/workflows/run_automated_wannier.py
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Expand Up @@ -182,7 +182,7 @@ def submit_workchain(
'maximal_localisation': orm.Bool(do_mlwf),
'retrieve_hamiltonian': orm.Bool(retrieve_hamiltonian),
# optional
'use_opengrid': orm.Bool(True),
'use_opengrid': orm.Bool(False),
'compare_dft_bands': orm.Bool(True),
'spin_orbit_coupling': orm.Bool(True)
}
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