Skip to content
GitLab
Projects
Groups
Snippets
/
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
Markus Scheidgen
parser-exciting
Commits
53f9b02d
Commit
53f9b02d
authored
Aug 25, 2017
by
Pardini, Lorenzo (lopa)
Browse files
added starting point for GW
parent
2f5fb0c8
Changes
1
Hide whitespace changes
Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
53f9b02d
...
...
@@ -359,7 +359,20 @@ class ExcitingParserContext(object):
# with open(gwFile) as fIn:
# subParser.parseFile(fIn)
def
onClose_section_method
(
self
,
backend
,
gIndex
,
value
):
if
value
[
"electronic_structure_method"
][
-
1
]
==
"G0W0"
:
gi
=
backend
.
openSection
(
"section_method_to_method_refs"
)
backend
.
addValue
(
"method_to_method_ref"
,
(
gIndex
-
1
))
backend
.
addValue
(
"method_to_method_kind"
,
'starting_point'
)
backend
.
closeSection
(
"section_method_to_method_refs"
,
gi
)
gi
=
backend
.
openSection
(
"section_calculation_to_calculation_refs"
)
backend
.
addValue
(
"calculation_to_calculation_ref"
,
(
self
.
CalculationGIndex
-
1
))
backend
.
addValue
(
"calculation_to_calculation_kind"
,
'starting_point'
)
backend
.
closeSection
(
"section_calculation_to_calculation_refs"
,
gi
)
def
onOpen_section_single_configuration_calculation
(
self
,
backend
,
gIndex
,
value
):
self
.
CalculationGIndex
=
gIndex
mainFileDescription
=
\
...
...
Write
Preview
Supports
Markdown
0%
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment