Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
parser-wien2k
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Container registry
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
This is an archived project. Repository and other project resources are read-only.
Show more breadcrumbs
nomad-lab
parser-wien2k
Commits
03899751
Commit
03899751
authored
6 years ago
by
Daniel Speckhard
Browse files
Options
Downloads
Patches
Plain Diff
removed setup_logged method.
parent
f63e5760
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
parser/parser-wien2k/wien2kparser/parser_wien2k.py
+0
-16
0 additions, 16 deletions
parser/parser-wien2k/wien2kparser/parser_wien2k.py
parser/parser-wien2k/wien2kparser/wien2k_parser_struct.py
+1
-1
1 addition, 1 deletion
parser/parser-wien2k/wien2kparser/wien2k_parser_struct.py
with
1 addition
and
17 deletions
parser/parser-wien2k/wien2kparser/parser_wien2k.py
+
0
−
16
View file @
03899751
...
...
@@ -102,7 +102,6 @@ class Wien2kContext(object):
with
open
(
fName
)
as
fIn
:
subParser
.
parseFile
(
fIn
)
mainFile
=
self
.
parser
.
fIn
.
fIn
.
name
fName
=
mainFile
[:
-
4
]
+
"
.in2c
"
if
os
.
path
.
exists
(
fName
):
...
...
@@ -309,21 +308,6 @@ class Wien2kParser():
return
backend
def
setup_logger
(
self
,
new_logger
):
if
hasattr
(
new_logger
,
'
bind
'
):
# tell tests about received logger
new_logger
.
debug
(
'
received logger
'
)
# only do this for struct logs
from
excitingparser
import
parser_exciting
,
exciting_parser_XS_input
,
\
exciting_parser_GS_input
,
exciting_parser_dos
,
exciting_parser_bandstructure
parser_exciting
.
logging
=
new_logger
exciting_parser_XS_input
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'
XS_input
'
)
exciting_parser_GS_input
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'
GS_input
'
)
exciting_parser_dos
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'
dos
'
)
exciting_parser_bandstructure
.
logging
=
new_logger
.
bind
(
legacy_logging
=
'
band
'
)
if
__name__
==
"
__main__
"
:
superContext
=
Wien2kContext
()
...
...
This diff is collapsed.
Click to expand it.
parser/parser-wien2k/wien2kparser/wien2k_parser_struct.py
+
1
−
1
View file @
03899751
...
...
@@ -110,7 +110,7 @@ def buildStructureMatchers():
repeats
=
True
),
# SM(r"\s*(?P<atom>.{10})\s*NPT=\s*(?P<NPT>[0-9]+)\s*R0=(?P<r0>[0-9.]+)\s*RMT=\s*(?P<rmt>[0-9.]+)\s*Z:\s*(?P<z>[0-9.]+)",)
SM
(
r
"
\s*(?P<x_wien2k_atom_name>^
.
+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)
"
,)
SM
(
r
"
\s*(?P<x_wien2k_atom_name>^
[^\s]
+)\s*NPT=\s*(?P<x_wien2k_NPT>[0-9]+)\s*R0=(?P<x_wien2k_R0>[0-9.]+)\s*RMT=\s*(?P<x_wien2k_RMT>[0-9.]+)\s*Z:\s*(?P<x_wien2k_atomic_number_Z>[0-9.]+)
"
,)
]
)
])
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment