new_contents: '''
  This module is to provide the same interface as the module `dft_interface`, so we can use ASE atoms and calculators to run OTF
  '''
  
  import numpy as np
  from copy import deepcopy
  
  def parse_dft_input(atoms):
      pos = atoms.positions
      spc = atoms.get_chemical_symbols()
      cell = np.array(atoms.get_cell())
      mass = atoms.get_masses()
      return pos, spc, cell, mass
  
  def run_dft_par(atoms, structure, dft_calc, **dft_kwargs):
      '''
      Assume that the atoms have been updated
      '''
      # change from FLARE to DFT calculator
      calc = deepcopy(dft_calc)
      atoms.set_calculator(calc)
  
      # calculate DFT forces 
      forces = atoms.get_forces()
  
      return forces
  
subject: add dft interface for ASE OTF