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This is an archived project. Repository and other project resources are read-only.
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nomad-lab
parser-vasp
Commits
660338bb
Commit
660338bb
authored
5 years ago
by
Markus Scheidgen
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Parser optimizations.
parent
edc78862
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1 changed file
vaspparser/__init__.py
+9
-2
9 additions, 2 deletions
vaspparser/__init__.py
with
9 additions
and
2 deletions
vaspparser/__init__.py
+
9
−
2
View file @
660338bb
...
@@ -25,8 +25,9 @@ from vaspparser.parser_vasprun import parserInfo
...
@@ -25,8 +25,9 @@ from vaspparser.parser_vasprun import parserInfo
from
vaspparser.parser_vasprun
import
VasprunContext
,
XmlParser
,
parserInfo
from
vaspparser.parser_vasprun
import
VasprunContext
,
XmlParser
,
parserInfo
from
vaspparser.parser_outcar
import
VaspOutcarParser
from
vaspparser.parser_outcar
import
VaspOutcarParser
from
nomad.parsing.legacy
import
CoEInterfaceParser
class
VASPRunParser
:
class
VASPRun
Main
Parser
:
"""
"""
The main parser class that is called for all run types. Parses the VASP
The main parser class that is called for all run types. Parses the VASP
.xml output files.
.xml output files.
...
@@ -78,10 +79,16 @@ class VASPRunParserInterface(ParserInterface):
...
@@ -78,10 +79,16 @@ class VASPRunParserInterface(ParserInterface):
dirpath
=
os
.
path
.
abspath
(
dirpath
)
dirpath
=
os
.
path
.
abspath
(
dirpath
)
self
.
parser_context
.
file_service
.
setup_root_folder
(
dirpath
)
self
.
parser_context
.
file_service
.
setup_root_folder
(
dirpath
)
self
.
parser_context
.
file_service
.
set_file_id
(
filename
,
"
output
"
)
self
.
parser_context
.
file_service
.
set_file_id
(
filename
,
"
output
"
)
self
.
main_parser
=
VASPRunParser
(
self
.
parser_context
)
self
.
main_parser
=
VASPRun
Main
Parser
(
self
.
parser_context
)
def
get_metainfo_filename
(
self
):
def
get_metainfo_filename
(
self
):
return
"
vasp.nomadmetainfo.json
"
return
"
vasp.nomadmetainfo.json
"
def
get_parser_info
(
self
):
def
get_parser_info
(
self
):
return
parserInfo
return
parserInfo
class
VASPRunParser
(
CoEInterfaceParser
):
def
__init__
(
self
):
super
().
__init__
(
VASPRunParserInterface
)
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