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nomad-lab
parser-elk
Commits
f28469bb
Commit
f28469bb
authored
Aug 18, 2016
by
Pardini, Lorenzo (lopa)
Browse files
added conversion for eigenvalues
parent
3d35f1f3
Pipeline
#6883
passed with stage
in 4 minutes and 7 seconds
Changes
1
Pipelines
1
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Inline
Side-by-side
parser/parser-elk/parser_elk.py
View file @
f28469bb
...
...
@@ -90,7 +90,7 @@ class ElkContext(object):
else
:
n
,
e
,
occ
=
s
.
split
()
eigvalVal
[
0
][
-
1
].
append
(
int
(
n
))
eigvalVal
[
1
][
-
1
].
append
(
float
(
e
))
eigvalVal
[
1
][
-
1
].
append
(
fromH
(
float
(
e
))
)
# print ("eigvalVal= ", eigvalVal)
backend
.
addArrayValues
(
"eigenvalues_kpoints"
,
np
.
asarray
(
eigvalKpoint
))
backend
.
addArrayValues
(
"eigenvalues_values"
,
np
.
asarray
(
eigvalVal
))
...
...
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