diff --git a/src/pyace/asecalc.py b/src/pyace/asecalc.py index 359d6f9..da63e66 100644 --- a/src/pyace/asecalc.py +++ b/src/pyace/asecalc.py @@ -212,6 +212,10 @@ def dump_current_configuration(self, atoms, max_gamma): write(fname, atoms, format="cfg") self.current_extrapolation_structure_index += 1 + def __reduce__(self): + di = self.todict() + di.pop('basis_set', None) + return (type(self), (self.basis.to_BBasisConfiguration(),), self.todict()) class PyACEEnsembleCalculator(Calculator): """