parameters: (name, **kwargs)
return_statement: return wfn
docstring: Function encoding sequence of PSI module calls for
      an algebraic diagrammatic construction calculation.
  
      .. caution:: Get rid of active molecule lines- should be handled in energy.
docstring_summary: Function encoding sequence of PSI module calls for
      an algebraic diagrammatic construction calculation.
docstring_tokens: Function encoding sequence of PSI module calls for an algebraic diagrammatic construction calculation .
function: def run_adc(name, **kwargs):
      """Function encoding sequence of PSI module calls for
      an algebraic diagrammatic construction calculation.
  
      .. caution:: Get rid of active molecule lines- should be handled in energy.
  
      """
      if core.get_option('ADC', 'REFERENCE') != 'RHF':
          raise ValidationError('ADC requires reference RHF')
  
      # Bypass the scf call if a reference wavefunction is given
      ref_wfn = kwargs.get('ref_wfn', None)
      if ref_wfn is None:
          ref_wfn = scf_helper(name, **kwargs)
  
      # Ensure IWL files have been written
      proc_util.check_iwl_file_from_scf_type(core.get_global_option('SCF_TYPE'), ref_wfn)
  
      warnings.warn("Using built-in `adc` module instead of add-on `adcc` interface is deprecated due "
                    "to certain wrong results, and in 1.7, it will stop working.", category=FutureWarning)
  
      error_msg = ("\n\t\t\t\t!!!!! WARNING !!!!!\n" +
              "\t\tThe built-in ADC(2) method may give incorrect results if\n"
          "\t\tmultiple roots are requested, due to an error in the Davidson solver,\n"
          "\t\tand is no longer maintained. It is slated for removal in Psi4 1.7.\n"
          "\t\tUse of the Psi interface to `adcc` instead is strongly recommended.\n")
  
      core.print_out(error_msg)
  
      wfn = core.adc(ref_wfn)
  
      core.print_out(error_msg)
  
      return wfn
function_tokens: def run_adc ( name , * * kwargs ) : if core . get_option ( 'ADC' , 'REFERENCE' ) != 'RHF' : raise ValidationError ( 'ADC requires reference RHF' ) # Bypass the scf call if a reference wavefunction is given ref_wfn = kwargs . get ( 'ref_wfn' , None ) if ref_wfn is None : ref_wfn = scf_helper ( name , * * kwargs ) # Ensure IWL files have been written proc_util . check_iwl_file_from_scf_type ( core . get_global_option ( 'SCF_TYPE' ) , ref_wfn ) warnings . warn ( "Using built-in `adc` module instead of add-on `adcc` interface is deprecated due " "to certain wrong results, and in 1.7, it will stop working." , category = FutureWarning ) error_msg = ( "\n\t\t\t\t!!!!! WARNING !!!!!\n" + "\t\tThe built-in ADC(2) method may give incorrect results if\n" "\t\tmultiple roots are requested, due to an error in the Davidson solver,\n" "\t\tand is no longer maintained. It is slated for removal in Psi4 1.7.\n" "\t\tUse of the Psi interface to `adcc` instead is strongly recommended.\n" ) core . print_out ( error_msg ) wfn = core . adc ( ref_wfn ) core . print_out ( error_msg ) return wfn