Fixed constructor call issue.

SINGROUP · Aug 2, 2023 · c5284a5 · c5284a5
1 parent 77b7294
commit c5284a5
Showing 1 changed file with 6 additions and 6 deletions.
diff --git 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.