parameters: (self, pos=None, **kwargs)
return_statement: return self._force, self._potential
docstring: Fetch force, energy of PSI.
  
          Arguments:
          - pos: positions of the atoms as array. If None, the positions of the current active
            molecule is used.
docstring_summary: Fetch force, energy of PSI.
docstring_tokens: Fetch force energy of PSI .
function: def calculate_force(self, pos=None, **kwargs):
          """Fetch force, energy of PSI.
  
          Arguments:
          - pos: positions of the atoms as array. If None, the positions of the current active
            molecule is used.
          """
          if pos is None:
              molecule = psi4.core.get_active_molecule()
              pos = np.array(molecule.geometry())
  
          self._force, self._potential = self.callback(pos, **kwargs)
          return self._force, self._potential
function_tokens: def calculate_force ( self , pos = None , * * kwargs ) : if pos is None : molecule = psi4 . core . get_active_molecule ( ) pos = np . array ( molecule . geometry ( ) ) self . _force , self . _potential = self . callback ( pos , * * kwargs ) return self . _force , self . _potential