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nomad-lab
nomad-FAIR
Commits
d9bfce2a
Commit
d9bfce2a
authored
May 09, 2021
by
Alvin Noe Ladines
Browse files
Implemented basic onetep parser
parent
c081d71e
Changes
2
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Subproject commit
342c83c8a935d02ff74e4479df05eac5562cf237
Subproject commit
22c5bfdb3cab1a414b1365b1469bee5e17493a65
nomad/parsing/parsers.py
View file @
d9bfce2a
...
...
@@ -64,6 +64,7 @@ from gulpparser import GulpParser
from
molcasparser
import
MolcasParser
from
mopacparser
import
MopacParser
from
namdparser
import
NAMDParser
from
onetepparser
import
OnetepParser
try
:
# these packages are not available without parsing extra, which is ok, if the
...
...
@@ -212,11 +213,7 @@ parsers = [
Dmol3Parser
(),
FleurParser
(),
MolcasParser
(),
LegacyParser
(
name
=
'parsers/onetep'
,
code_name
=
'ONETEP'
,
code_homepage
=
'https://www.onetep.org/'
,
domain
=
'dft'
,
parser_class_name
=
'onetepparser.OnetepParser'
,
mainfile_contents_re
=
r
'####### # # ####### ####### ####### ######'
),
OnetepParser
(),
LegacyParser
(
name
=
'parsers/openkim'
,
code_name
=
'OpenKIM'
,
domain
=
'dft'
,
parser_class_name
=
'openkimparser.OpenKIMParser'
,
...
...
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