Source code for ase2sprkkr.ase.register

registered = False

[docs] def register(): global registered if registered: return # fallback to the old way else: from ase.calculators.calculator import register_calculator_class from ..sprkkr.calculator import SPRKKR # NOQA: E402 registered=True register_calculator_class('sprkkr', SPRKKR)
try:
[docs] def ase_register(plugin=None): global registered if registered: return registered = True if plugin: rc=plugin.register_calculator rio=plugin.register_io_format else: from ase.plugins.register import \ register_io_format as fio, \ register_calculator as rc rc('ase2sprkkr.SPRKKR') rio('ase2sprkkr.ase.io', 'SPRKKR potential file', '1F', name='sprkkr', ext='pot')
except ImportError: pass