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Markus Scheidgen
parser-exciting
Commits
ae439419
Commit
ae439419
authored
Oct 05, 2016
by
Pardini, Lorenzo (lopa)
Browse files
fixed bug with print
parent
c8093ab4
Changes
2
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Inline
Side-by-side
parser/parser-exciting/exciting_parser_input.py
View file @
ae439419
...
...
@@ -16,7 +16,7 @@ class InputHandler(xml.sax.handler.ContentHandler):
self
.
inInput
=
True
elif
name
==
"atom"
and
self
.
inInput
:
g
=
attrs
.
getValue
(
'coord'
)
print
(
"coord="
,
g
)
#
print ("coord=", g)
# self.backend.addValue("atom_positions",float(attrs.getValue('coord')))
# self.backend.addValue("x_exciting_dos_energy",float(attrs.getValue('e')))
# attrDict={}
...
...
parser/parser-exciting/parser_exciting.py
View file @
ae439419
...
...
@@ -99,8 +99,8 @@ class ExcitingParserContext(object):
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
)
#
print ("values= ", eigvalVal)
#
print ("kpoints= ", eigvalKpoint)
##########################Parsing Fermi surface##################
...
...
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