====== Keyword 'nc' ======
← Return to [[seminar:ase3jacapo|Jacapo constructor]].

Modification of the nc file only occurs at calculate time if needed
 
  >>> calc = Jacapo('CO.nc')
 
reads the calculator from CO.nc if it exists or
minimally initializes CO.nc with dimensions if it does not exist.
 
  >>> calc = Jacapo('CO.nc', pw=300)
 
reads the calculator from CO.nc or initializes it if
it does not exist and changes the planewave cutoff energy to
300eV
 
  >>> atoms = Jacapo.read_atoms('CO.nc')
 
returns the atoms in the netcdffile CO.nc, with the calculator
attached to it.
 
  >>> atoms, calc = read('CO.nc')