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Markus Scheidgen
parser-exciting
Commits
baebdf43
Commit
baebdf43
authored
Jun 16, 2017
by
Pardini, Lorenzo (lopa)
Browse files
fixed bug in gw (duplicated metadata)
parent
7dc00b9a
Changes
1
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Inline
Side-by-side
parser/parser-exciting/exciting_parser_gw.py
View file @
baebdf43
...
...
@@ -285,7 +285,7 @@ class GWContext(object):
bandEnergies
[
i
].
append
([])
kappa
[
i
].
append
([])
dist1
.
append
([])
print
(
"dist1"
,
dist1
)
#
print("dist1",dist1)
# if not dist1:
# elif s[0] == "#":
# for i in range(0,2):
...
...
@@ -315,8 +315,8 @@ class GWContext(object):
bandEnergies
[
i
].
pop
()
numBand
=
len
(
bandEnergies
[
0
])
# numK = len(kappa[0][0])
print
(
"kappa="
,
numK
)
print
(
"bandnergies="
,
numBand
)
#
print("kappa=",numK)
#
print("bandnergies=",numBand)
for
i
in
range
(
1
,
numK
):
# print("i=",i)
# print("dist1[i-1]=",dist1[i-1])
...
...
@@ -384,8 +384,8 @@ def buildGWMatchers():
# SM(name = 'GWinput',
# startReStr = r"(?P<x_wien2k_system_nameIn>.*)"),
# startReStr = "\s*GW taskname:\s*"
SM
(
r
"\s*(?P<x_exciting_GW_type>[-a-zA-Z0-9]+)\s*-\s*[-a-zA-Z0-9]+\s*run"
),
SM
(
r
"\s*(?P<x_exciting_GW_type>[-a-zA-Z0-9]+)\s*-\s*[-a-zA-Z0-9]+\s*run"
),
SM
(
r
"\s*(?P<x_exciting_GW_type>[-a-zA-Z0-9]+)\s*-\s*[-a-zA-Z0-9]+\s*run"
)
#
,
#
SM(r"\s*(?P<x_exciting_GW_type>[-a-zA-Z0-9]+)\s*-\s*[-a-zA-Z0-9]+\s*run"),
# SM(r"\s*(?P<x_wien2k_in2c_switch>[A-Z]+)\s*.*"),
# SM(r"\s*(?P<x_wien2k_in2c_emin>[-+0-9.]+)\s*(?P<x_wien2k_in2c_ne>[-+0-9.]+)\s*(?P<x_wien2k_in2c_espermin>[-+0-9.]+)\s*(?P<x_wien2k_in2c_esper0>[-+0-9.]+)\s*.*"),
# SM(r"\s*(?P<x_wien2k_smearing_kind>[A-Z]+)\s*\s*(?P<x_wien2k_smearing_width__rydberg>[-+0-9.]+)\s*.*"),
...
...
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