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nomad-lab
nomad-FAIR
Commits
4072c0ed
Commit
4072c0ed
authored
May 11, 2021
by
Alvin Noe Ladines
Browse files
Implemented basic libatoms parser
parent
fa7bfedc
Pipeline
#101292
passed with stages
in 24 minutes and 7 seconds
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2
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Subproject commit
806d917b9173f4f336f07cdb27e5e898accda917
nomad/parsing/parsers.py
View file @
4072c0ed
...
...
@@ -68,6 +68,7 @@ from onetepparser import OnetepParser
from
siestaparser
import
SiestaParser
from
tinkerparser
import
TinkerParser
from
charmmparser
import
CharmmParser
from
libatomsparser
import
LibAtomsParser
try
:
# these packages are not available without parsing extra, which is ok, if the
...
...
@@ -177,11 +178,7 @@ parsers = [
OrcaParser
(),
CastepParser
(),
DLPolyParser
(),
LegacyParser
(
name
=
'parsers/lib-atoms'
,
code_name
=
'libAtoms'
,
code_homepage
=
'https://libatoms.github.io/'
,
parser_class_name
=
'libatomsparser.LibAtomsParserWrapper'
,
mainfile_contents_re
=
(
r
'\s*<GAP_params\s'
)
),
LibAtomsParser
(),
OctopusParser
(),
GPAWParser
(),
LegacyParser
(
...
...
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