====== Atomic Scale Simulation Environment v.3/Jacapo ======
Original document (created by PyDOC)
Follows are created by pydoc from original documentation strings of the ase python source codes as:
<code sh>
$ pydoc -w ase.atom
$ pydoc -w ase.atoms
$ pydoc -w ase.calculators.jacapo.jacapo
</code>
  * [[Atom object]]（[[Atom_by_PyDOC|PyDOC版]]）
  * [[Atoms object]]（[[Atoms_by_PyDOC|PyDOC版]]）
  * [[Jacapo object]]（[[Jacapo_by_PyDOC|PyDOC版]]）

===== Jacapo =====
==== Constructor ====

''Jacapo([[jacapo:nc|nc]]='out.nc', [[outnc]]=None, [[deletenc]]=False, [[debug]]=30, [[stay_alive]]=False, **[[jacapo:kwargs|kwargs]])''

^ Name ^ Type ^ Description ^ Default settings ^
| [[jacapo:nc|nc]] |  string  | output netcdf file, or input file if nc already exists |  'out.nc'  |
| outnc |  string  | output file.  |  equal to nc  |
| deletenc |  Boolean  | If True, the ncfile is deleted if it exists. |  False  |
| debug |  integer  | debug level  |  30  |
| stay_alive |  Boolean  |  |  False  |
| [[jacapo:kwargs|kwargs]] |  dictionary  |   |   |
 
  * ''deletenc'' determines whether the ncfile is deleted on initialization. so a fresh run occurs.

==== Methods ====

=== read_atoms === 
read_atoms(filename)

read atoms and calculator from an existing netcdf file.

  >>> atoms = Jacapo.read_atoms(ncfile)
  >>> calc = atoms.get_calculator()

==== Functions ====

=== read ===
read(ncfile)

return atoms and calculator from ncfile

  >>> atoms, calc = read('co.nc')