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This is an archived project. Repository and other project resources are read-only.
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nomad-lab
parser-vasp
Commits
2dd0ddd0
Commit
2dd0ddd0
authored
9 years ago
by
Mohamed, Fawzi Roberto (fawzi)
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more renames from web_public
parent
baac7abe
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1 changed file
parser/parser-vasp/parser_vasprun.py
+3
-3
3 additions, 3 deletions
parser/parser-vasp/parser_vasprun.py
with
3 additions
and
3 deletions
parser/parser-vasp/parser_vasprun.py
+
3
−
3
View file @
2dd0ddd0
...
...
@@ -215,13 +215,13 @@ class VasprunContext(object):
name
=
el
.
attrib
.
get
(
"
name
"
,
None
)
if
name
==
"
positions
"
:
pos
=
getVector
(
el
)
backend
.
addArrayValues
(
"
atom_position
"
,
np
.
asarray
(
pos
))
backend
.
addArrayValues
(
"
atom_position
s
"
,
np
.
asarray
(
pos
))
else
:
backend
.
pwarn
(
"
Unexpected varray in structure %s
"
%
el
.
attrib
)
else
:
backend
.
pwarn
(
"
Unexpected tag in structure %s %s %r
"
%
el
.
tag
,
el
.
attrib
,
el
.
text
)
if
self
.
labels
is
not
None
:
backend
.
addArrayValues
(
"
atom_label
"
,
self
.
labels
)
backend
.
addArrayValues
(
"
atom_label
s
"
,
self
.
labels
)
def
onEnd_eigenvalues
(
self
,
parser
,
event
,
element
):
...
...
@@ -268,7 +268,7 @@ class VasprunContext(object):
backend
.
openNonOverlappingSection
(
"
section_eigenvalues_group
"
)
for
isp
in
range
(
self
.
ispin
):
backend
.
openNonOverlappingSection
(
"
section_eigenvalues
"
)
backend
.
addArrayValues
(
"
eigenvalues_
eigen
values
"
,
ev
[
isp
])
backend
.
addArrayValues
(
"
eigenvalues_values
"
,
ev
[
isp
])
backend
.
closeNonOverlappingSection
(
"
section_eigenvalues
"
)
backend
.
closeNonOverlappingSection
(
"
section_eigenvalues_group
"
)
...
...
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