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Markus Scheidgen
parser-exciting
Commits
8ec25541
Commit
8ec25541
authored
Oct 24, 2016
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
hack to fix eigenvalues (assuming only one spin channel)
parent
68c98940
Changes
1
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Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
8ec25541
...
...
@@ -102,9 +102,9 @@ class ExcitingParserContext(object):
# eigvalVal[2][-1].append(fromH(float(e)))
# eigvalOcc[0][-1].append(int(n))
# eigvalOcc[1][-1].append(float(occ))
backend
.
addArrayValues
(
"eigenvalues_kpoints"
,
np
.
asarray
(
eigvalKpoint
))
backend
.
addArrayValues
(
"eigenvalues_values"
,
np
.
asarray
(
eigvalVal
))
backend
.
addArrayValues
(
"eigenvalues_occupation"
,
np
.
asarray
(
eigvalOcc
))
backend
.
addArrayValues
(
"eigenvalues_kpoints"
,
np
.
asarray
(
[
eigvalKpoint
]
))
backend
.
addArrayValues
(
"eigenvalues_values"
,
np
.
asarray
(
[
eigvalVal
]
))
backend
.
addArrayValues
(
"eigenvalues_occupation"
,
np
.
asarray
(
[
eigvalOcc
]
))
# print ("values= ", eigvalVal)
# print ("kpoints= ", eigvalKpoint)
...
...
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