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ndaelman
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Sep 11, 2024
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Original file line number | Diff line number | Diff line change |
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from nomad.config.models.plugins import EntryPoint | ||
from pydantic import Field | ||
from nomad.config.models.plugins import ParserEntryPoint | ||
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class VasprunXMLEntryPoint(EntryPoint): | ||
class VasprunXMLEntryPoint(ParserEntryPoint): | ||
parameter: int = Field(0, description='Custom configuration parameter') | ||
parser_class_name='nomad_parser_vasp.parsers.xml_parser.VasprunXMLParser' | ||
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def load(self): | ||
from nomad_parser_vasp.parsers.xml_parser import VasprunXMLParser | ||
from nomad.parsing import MatchingParserInterface | ||
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return VasprunXMLParser( | ||
'nomad_parser_vasp/parser/xml_parser.py/VasprunXMLParser', **self.dict() | ||
) | ||
return MatchingParserInterface(**self.dict()) | ||
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xml_entry_point = VasprunXMLEntryPoint( | ||
name='VasprunXML Parser', | ||
name='nomad-parser-vasp', | ||
python_package='nomad_parser_vasp', | ||
code_name='VASP XML', | ||
code_category='ab initio', | ||
entry_point_type='parser', | ||
description='Parser for VASP output in XML format.', | ||
mainfile_name_re='.*vasprun\.xml.*', | ||
) |
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