Commit d9bfce2a authored by Alvin Noe Ladines's avatar Alvin Noe Ladines
Browse files

Implemented basic onetep parser

parent c081d71e
Subproject commit 342c83c8a935d02ff74e4479df05eac5562cf237
Subproject commit 22c5bfdb3cab1a414b1365b1469bee5e17493a65
......@@ -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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