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nomad-lab
parser-fplo
Commits
0c067750
Commit
0c067750
authored
7 years ago
by
Henning Glawe
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fix LDA+U detection
parent
f84c9d49
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parser/parser-fplo/parser_fplo_14.py
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parser/parser-fplo/parser_fplo_14.py
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parser/parser-fplo/parser_fplo_14.py
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0c067750
...
@@ -527,7 +527,7 @@ class ParserFplo14(object):
...
@@ -527,7 +527,7 @@ class ParserFplo14(object):
def
onClose_section_method
(
def
onClose_section_method
(
self
,
backend
,
gIndex
,
section
):
self
,
backend
,
gIndex
,
section
):
# check for DFT+U vs. DFT
# check for DFT+U vs. DFT
if
section
[
'
x_fplo_
t_
dft_plus_u_projection_type
'
]
is
None
:
if
section
[
'
x_fplo_dft_plus_u_projection_type
'
]
is
None
:
backend
.
addValue
(
'
electronic_structure_method
'
,
'
DFT
'
)
backend
.
addValue
(
'
electronic_structure_method
'
,
'
DFT
'
)
else
:
else
:
backend
.
addValue
(
'
electronic_structure_method
'
,
'
DFT+U
'
)
backend
.
addValue
(
'
electronic_structure_method
'
,
'
DFT+U
'
)
...
...
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