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nomad-lab
parser-exciting
Commits
76be5e34
Commit
76be5e34
authored
Apr 18, 2018
by
Pardini, Lorenzo (lopa)
Browse files
DOS...
parent
87abe3fe
Changes
1
Hide whitespace changes
Inline
Side-by-side
parser/parser-exciting/exciting_parser_dos.py
View file @
76be5e34
...
...
@@ -63,10 +63,10 @@ class DosHandler(xml.sax.handler.ContentHandler):
self
.
inDosProj
=
True
elif
name
==
"point"
:
if
self
.
inDos
:
self
.
totDos
.
append
(
float
(
attrs
.
getValue
(
'dos'
))
*
ha_per_joule
)
self
.
totDos
.
append
(
float
(
attrs
.
getValue
(
'dos'
))
/
ha_per_joule
)
self
.
energy
.
append
(
fromH
(
float
(
attrs
.
getValue
(
'e'
))))
elif
self
.
inDosProj
:
self
.
dosProj
.
append
(
float
(
attrs
.
getValue
(
'dos'
))
*
ha_per_joule
)
self
.
dosProj
.
append
(
float
(
attrs
.
getValue
(
'dos'
))
/
ha_per_joule
)
self
.
energy
.
append
(
fromH
(
float
(
attrs
.
getValue
(
'e'
))))
elif
name
==
"diagram"
:
if
not
self
.
speciesrn
:
pass
...
...
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