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Markus Scheidgen
parser-exciting
Commits
af38fd0f
Commit
af38fd0f
authored
Aug 26, 2016
by
Pardini, Lorenzo (lopa)
Browse files
test
parent
8ee114f6
Changes
1
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Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
af38fd0f
...
@@ -94,6 +94,9 @@ class ExcitingParserContext(object):
...
@@ -94,6 +94,9 @@ class ExcitingParserContext(object):
backend
.
addArrayValues
(
"eigenvalues_kpoints"
,
np
.
asarray
(
eigvalKpoint
))
backend
.
addArrayValues
(
"eigenvalues_kpoints"
,
np
.
asarray
(
eigvalKpoint
))
backend
.
addArrayValues
(
"eigenvalues_values"
,
np
.
asarray
(
eigvalVal
))
backend
.
addArrayValues
(
"eigenvalues_values"
,
np
.
asarray
(
eigvalVal
))
backend
.
addArrayValues
(
"eigenvalues_occupation"
,
np
.
asarray
(
eigvalOcc
))
backend
.
addArrayValues
(
"eigenvalues_occupation"
,
np
.
asarray
(
eigvalOcc
))
##########################Parsing Fermi surface##################
if
os
.
path
.
exists
(
fermiSurfFile
):
if
os
.
path
.
exists
(
fermiSurfFile
):
fermiGIndex
=
backend
.
openSection
(
"x_exciting_section_fermi_surface"
)
fermiGIndex
=
backend
.
openSection
(
"x_exciting_section_fermi_surface"
)
with
open
(
fermiSurfFile
)
as
g
:
with
open
(
fermiSurfFile
)
as
g
:
...
...
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