Source code for ase2sprkkr.potentials.definitions.sections.types

from ...potential_definitions import PotSectionDefinition, \
                                   PotValueDefinition
from ...potential_sections import UniqueListSection
from ....common.grammar_types import Table
from ....sprkkr.atomic_types import AtomicType


[docs] class TypesSection(UniqueListSection): _value_name = 'types' _value_class = AtomicType
[docs] class TypesSectionDefinition(PotSectionDefinition):
[docs] def __init__(self, name='TYPES', **kwargs): V = PotValueDefinition members = [ V('DATA', Table({'TXT': str, 'ZT' :int, 'NCORT': int, 'NVALT': int, 'NSEMCORSHLT': int}, numbering='IT', free_header=True) ), ] super().__init__(name, members, has_hidden_members=True)
result_class = TypesSection
section = TypesSectionDefinition