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nomad-lab
parser-elk
Commits
7b562229
Commit
7b562229
authored
Oct 13, 2016
by
Pardini, Lorenzo (lopa)
Browse files
fixed bug with energy_total
parent
d20ec712
Pipeline
#7810
passed with stage
in 12 minutes and 26 seconds
Changes
1
Pipelines
1
Hide whitespace changes
Inline
Side-by-side
parser/parser-elk/parser_elk.py
View file @
7b562229
...
@@ -128,7 +128,7 @@ class ElkContext(object):
...
@@ -128,7 +128,7 @@ class ElkContext(object):
def
onClose_section_scf_iteration
(
self
,
backend
,
gIndex
,
section
):
def
onClose_section_scf_iteration
(
self
,
backend
,
gIndex
,
section
):
Etot
=
section
[
"energy_total_scf_iteration"
]
Etot
=
section
[
"energy_total_scf_iteration"
]
backend
.
addValue
(
"energy_total"
,
Etot
)
backend
.
addValue
(
"energy_total"
,
Etot
[
-
1
]
)
# description of the input
# description of the input
mainFileDescription
=
\
mainFileDescription
=
\
...
...
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