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Markus Scheidgen
parser-exciting
Commits
89b1248b
Commit
89b1248b
authored
Oct 27, 2016
by
Mohamed, Fawzi Roberto (fawzi)
Browse files
python3 fix
parent
f08e9763
Changes
1
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Inline
Side-by-side
parser/parser-exciting/parser_exciting.py
View file @
89b1248b
...
...
@@ -91,7 +91,7 @@ class ExcitingParserContext(object):
# eigvalVal[2].append([])
# eigvalOcc[0].append([])
# eigvalOcc[1].append([])
eigvalKpoint
.
append
(
list
(
map
(
float
,
s
.
split
()[
1
:
4
]
))
)
eigvalKpoint
.
append
(
[
float
(
x
)
for
x
in
s
.
split
()[
1
:
4
]
]
)
else
:
try
:
int
(
s
[
0
])
except
ValueError
:
...
...
@@ -200,8 +200,8 @@ class ExcitingParserContext(object):
def
onClose_x_exciting_section_atoms_group
(
self
,
backend
,
gIndex
,
section
):
pos
=
[
(
'x_exciting_geometry_atom_positions_'
+
i
)
for
i
in
[
'x'
,
'y'
,
'z'
]]
pl
=
map
(
len
,
pos
)
pos
=
[
section
[
'x_exciting_geometry_atom_positions_'
+
i
]
for
i
in
[
'x'
,
'y'
,
'z'
]]
pl
=
[
len
(
comp
)
for
comp
in
pos
]
natom
=
pl
[
0
]
if
pl
[
1
]
!=
natom
or
pl
[
2
]
!=
natom
:
raise
Exception
(
"invalid number of atoms in various components %s"
%
pl
)
...
...
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