File tree 3 files changed +6
-4
lines changed
src/aiida_wannier90_workflows
3 files changed +6
-4
lines changed Original file line number Diff line number Diff line change @@ -111,7 +111,7 @@ jobs:
111
111
READTHEDOCS : " True"
112
112
run : SPHINXOPTS='-nW' make -C docs html
113
113
114
- - uses : actions/upload-artifact@v3
114
+ - uses : actions/upload-artifact@v4
115
115
with :
116
116
name : doc-build
117
117
path : docs/build/html
Original file line number Diff line number Diff line change 26
26
Pw2wannier90BaseWorkChain ,
27
27
)
28
28
from aiida_wannier90_workflows .workflows .base .wannier90 import Wannier90BaseWorkChain
29
+ from aiida_wannier90_workflows .workflows .optimize import Wannier90OptimizeWorkChain
29
30
from aiida_wannier90_workflows .workflows .projwfcbands import ProjwfcBandsWorkChain
30
31
from aiida_wannier90_workflows .workflows .wannier90 import Wannier90WorkChain
31
32
@@ -41,6 +42,7 @@ def set_parallelization(
41
42
Wannier90Calculation ,
42
43
Wannier90BaseWorkChain ,
43
44
Wannier90BandsWorkChain ,
45
+ Wannier90OptimizeWorkChain ,
44
46
CalcJob ,
45
47
] = Wannier90BandsWorkChain ,
46
48
) -> None :
@@ -230,7 +232,7 @@ def set_parallelization(
230
232
process_class = ProjwfcBaseWorkChain ,
231
233
)
232
234
233
- elif process_class == Wannier90BandsWorkChain :
235
+ elif process_class in [ Wannier90BandsWorkChain , Wannier90OptimizeWorkChain ] :
234
236
if "scf" in pruned_builder :
235
237
set_parallelization (
236
238
builder ["scf" ],
Original file line number Diff line number Diff line change @@ -131,7 +131,7 @@ def define(cls, spec):
131
131
default = lambda : orm .List (list = list (np .linspace (0.99 , 0.85 , 15 ))),
132
132
serializer = to_aiida_type ,
133
133
help = (
134
- "The range to iterate dis_proj_min . `None` means disabling projectability disentanglement."
134
+ "The range to iterate dis_proj_max . `None` means disabling projectability disentanglement."
135
135
),
136
136
)
137
137
spec .input (
@@ -140,7 +140,7 @@ def define(cls, spec):
140
140
default = lambda : orm .List (list = list (np .linspace (0.01 , 0.02 , 2 ))),
141
141
serializer = to_aiida_type ,
142
142
help = (
143
- "The range to iterate dis_proj_max . `None` means disabling projectability disentanglement."
143
+ "The range to iterate dis_proj_min . `None` means disabling projectability disentanglement."
144
144
),
145
145
)
146
146
spec .input (
You can’t perform that action at this time.
0 commit comments