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nomad-lab
parser-vasp
Commits
10973cb7
Commit
10973cb7
authored
Sep 14, 2020
by
Markus Scheidgen
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Fixed use of non existing incar param.
parent
394b4503
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1 changed file
vaspparser/parser_vasprun.py
+10
-2
10 additions, 2 deletions
vaspparser/parser_vasprun.py
with
10 additions
and
2 deletions
vaspparser/parser_vasprun.py
+
10
−
2
View file @
10973cb7
...
...
@@ -219,7 +219,11 @@ class VasprunContext(object):
for
el
in
element
:
if
el
.
tag
==
"
v
"
:
name
=
el
.
attrib
.
get
(
"
name
"
,
None
)
meta
=
None
try
:
meta
=
m_env
.
resolve_definition
(
'
x_vasp_incar_
'
+
name
,
Quantity
)
except
KeyError
:
pass
if
not
meta
:
self
.
logger
.
warn
(
"
Unknown INCAR parameter (not registered in the meta data): %s %s %r
"
%
(
...
...
@@ -229,7 +233,11 @@ class VasprunContext(object):
setattr
(
section_method
,
meta
.
get
(
'
name
'
),
vector_val
)
elif
el
.
tag
==
"
i
"
:
name
=
el
.
attrib
.
get
(
"
name
"
,
None
)
meta
=
None
try
:
meta
=
m_env
.
resolve_definition
(
'
x_vasp_incar_
'
+
name
,
Quantity
)
except
KeyError
:
pass
val_type
=
el
.
attrib
.
get
(
"
type
"
)
if
not
meta
:
self
.
logger
.
warn
(
...
...
...
...
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