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

from ...potential_definitions import PotSectionDefinition, \
                                   PotValueDefinition
from ...potential_sections import ASEArraySection

from ....common.grammar_types import Table


[docs] class HostMadelungPotentialSection(ASEArraySection): pass
[docs] class HostMadelungPotentialSectionDefinition(PotSectionDefinition): array_name = 'host_madelung_potential'
[docs] def __init__(self, name='HOST MADELUNG POTENTIAL', **kwargs): V = PotValueDefinition members = [ V('DATA', Table(numbering='IQ', grouping=True, group_size='NLMTOP-POT', VLMMAD=float, numbering_format='{:>10}', grouping_format='{:>3}', flatten=True), name_in_grammar=False, is_optional=True ) ] super().__init__(name, members, has_hidden_members=True, is_optional=True)
result_class = HostMadelungPotentialSection
section = HostMadelungPotentialSectionDefinition