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nomad-lab
nomad-FAIR
Commits
08a3f62c
Commit
08a3f62c
authored
May 14, 2021
by
Alvin Noe Ladines
Browse files
Implemented new openkim parser
parent
ed29f61e
Pipeline
#101521
failed with stages
in 23 minutes and 53 seconds
Changes
2
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1
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@
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af959419
Subproject commit
1cd31deb8c043df3f72067b5b566e19796cec2aa
Subproject commit
af95941987808122e9ba5d3c4d734fc06cee9749
nomad/parsing/parsers.py
View file @
08a3f62c
...
...
@@ -16,13 +16,11 @@
# limitations under the License.
#
from
nomad.metainfo.metainfo
import
Quantity
import
os.path
from
nomad
import
config
,
datamodel
from
.parser
import
MissingParser
,
BrokenParser
,
Parser
,
ArchiveParser
from
.legacy
import
LegacyParser
from
.artificial
import
EmptyParser
,
GenerateRandomParser
,
TemplateParser
,
ChaosParser
from
eelsdbconverter
import
EELSApiJsonConverter
...
...
@@ -72,6 +70,7 @@ from charmmparser import CharmmParser
from
libatomsparser
import
LibAtomsParser
from
atkparser
import
ATKParser
from
qboxparser
import
QboxParser
from
openkimparser
import
OpenKIMParser
try
:
# these packages are not available without parsing extra, which is ok, if the
...
...
@@ -199,11 +198,7 @@ parsers = [
FleurParser
(),
MolcasParser
(),
OnetepParser
(),
LegacyParser
(
name
=
'parsers/openkim'
,
code_name
=
'OpenKIM'
,
domain
=
'dft'
,
parser_class_name
=
'openkimparser.OpenKIMParser'
,
mainfile_contents_re
=
r
'OPENKIM'
),
OpenKIMParser
(),
TinkerParser
(),
LammpsParser
(),
AmberParser
(),
...
...
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