parameters: (name, **kwargs)
docstring: Function selecting the algorithm for a LCCD gradient call
      and directing to specified or best-performance default modules.
docstring_summary: Function selecting the algorithm for a LCCD gradient call
      and directing to specified or best-performance default modules.
docstring_tokens: Function selecting the algorithm for a LCCD gradient call and directing to specified or best - performance default modules .
function: def select_lccd_gradient(name, **kwargs):
      """Function selecting the algorithm for a LCCD gradient call
      and directing to specified or best-performance default modules.
  
      """
      reference = core.get_option('SCF', 'REFERENCE')
      mtd_type = core.get_global_option('CC_TYPE')
      module = core.get_global_option('QC_MODULE')
      all_electron = (core.get_global_option('FREEZE_CORE') == "FALSE")
      # Considering only [df]occ
  
      func = None
      if reference in ['RHF', 'UHF']:
          if mtd_type == 'CONV':
              if all_electron:
                  if module in ['', 'OCC']:
                      func = run_occ_gradient
          elif mtd_type == 'DF':
                  if module in ['', 'OCC']:
                      func = run_dfocc_gradient
  
      if func is None:
          raise ManagedMethodError(['select_lccd_gradient', name, 'CC_TYPE', mtd_type, reference, module, all_electron])
  
      if kwargs.pop('probe', False):
          return
      else:
          return func(name, **kwargs)
function_tokens: def select_lccd_gradient ( name , * * kwargs ) : reference = core . get_option ( 'SCF' , 'REFERENCE' ) mtd_type = core . get_global_option ( 'CC_TYPE' ) module = core . get_global_option ( 'QC_MODULE' ) all_electron = ( core . get_global_option ( 'FREEZE_CORE' ) == "FALSE" ) # Considering only [df]occ func = None if reference in [ 'RHF' , 'UHF' ] : if mtd_type == 'CONV' : if all_electron : if module in [ '' , 'OCC' ] : func = run_occ_gradient elif mtd_type == 'DF' : if module in [ '' , 'OCC' ] : func = run_dfocc_gradient if func is None : raise ManagedMethodError ( [ 'select_lccd_gradient' , name , 'CC_TYPE' , mtd_type , reference , module , all_electron ] ) if kwargs . pop ( 'probe' , False ) : return else : return func ( name , * * kwargs )