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