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Markus Scheidgen
parser-exciting
Commits
5bc13711
Commit
5bc13711
authored
Aug 03, 2016
by
Pardini, Lorenzo (lopa)
Browse files
fixed a bug in simulation_reciprocal_cell
parent
b0e0fe9b
Changes
1
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Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
5bc13711
...
...
@@ -27,7 +27,7 @@ class ExcitingParserContext(object):
recCell
=
[[
recLatticeX
[
0
],
recLatticeY
[
0
],
recLatticeZ
[
0
]],
[
recLatticeX
[
1
],
recLatticeY
[
1
],
recLatticeZ
[
1
]],
[
recLatticeX
[
2
],
recLatticeY
[
2
],
recLatticeZ
[
2
]]]
backend
.
addValue
(
"simulation_reciprocal_cell"
,
recCell
)
backend
.
addValue
(
"
x_exciting_
simulation_reciprocal_cell"
,
recCell
)
def
onClose_x_exciting_section_xc
(
self
,
backend
,
gIndex
,
section
):
xcNr
=
section
[
"x_exciting_xc_functional"
][
0
]
...
...
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