Compatibility with other calculators¶
The goal is that in time ASR will be compatible with muliple calculators that are implemented in ASE
EMT already works for relaxation and stiffness.
This is still an open problem. Some work has been done though
... calc.write('gs.gpw') ...
from asr.calculators import get_calculator_class ... calc = get_calculator_class(name)(**parameters) ... calculation = calc.save(id='gs') ... return calculation