diff --git a/dscribe/descriptors/soap.py b/dscribe/descriptors/soap.py index b94b6c0b..62a61e43 100644 --- a/dscribe/descriptors/soap.py +++ b/dscribe/descriptors/soap.py @@ -687,12 +687,12 @@ def derivatives_numerical( self._weighting, self.average, cutoff_padding, - alphas, - betas, self._atomic_numbers, self.species_weights, self.periodic, self.compression, + alphas, + betas, ) # Calculate numerically with extension soap_gto.derivatives_numerical( @@ -721,12 +721,12 @@ def derivatives_numerical( self._weighting, self.average, cutoff_padding, - rx, - gss, self._atomic_numbers, self.species_weights, self.periodic, self.compression, + rx, + gss, ) soap_poly.derivatives_numerical( d, @@ -791,12 +791,12 @@ def derivatives_analytical( self._weighting, self.average, cutoff_padding, - alphas, - betas, self._atomic_numbers, self.species_weights, self.periodic, self.compression, + alphas, + betas, ) # These arrays are only used internally by the C++ code.