httk.atomistic.integrations.vasp.io.outputs
===========================================

.. py:module:: httk.atomistic.integrations.vasp.io.outputs

.. autoapi-nested-parse::

   Lazy directory-level access to a VASP calculation's registered files.

   ``VASPOutputs`` is deliberately not a registered reader: a directory is a
   container of inputs, not one VASP file.  Payload-returning properties retain no
   open handles; the lazy OUTCAR and XDATCAR objects are owned and closed here.



Classes
-------

.. autoapisummary::

   httk.atomistic.integrations.vasp.io.outputs.VASPOutputs


Module Contents
---------------

.. py:class:: VASPOutputs(directory, *, precision = None)

   Lazily resolve standard VASP files in a calculation directory.

   File lookup probes each registered compression suffix after the plain
   filename. Payload readers are created only when their properties are first
   accessed. The lazy OUTCAR and XDATCAR children are owned here and closed by
   :meth:`close`; payload mappings do not retain open handles.

   :param directory: Filesystem directory containing VASP output files.
   :param precision: Cartesian coordinate precision in Å propagated to the POSCAR/CONTCAR
       reads (see :func:`~httk.atomistic.integrations.vasp.io.read_poscar`). ``None`` (the
       default) keeps the digit-derived precision and, on first ``poscar``/``contcar``
       access, emits the same recommendation warning ``read_poscar`` does — relaxed
       CONTCAR coordinates are written to full double precision, so without a value the
       symmetry tolerance comes out unrealistically tight. Validated lazily by the reader.


   .. py:property:: closed
      :type: bool


      Whether this directory view has been closed.


   .. py:method:: close()

      Close owned lazy file objects; repeated calls are harmless.



   .. py:property:: poscar
      :type: dict[str, Any] | None


      Return the lazily loaded POSCAR payload, or ``None`` when absent.

      The read uses this object's ``precision`` (warning when it was not supplied).


   .. py:property:: contcar
      :type: dict[str, Any] | None


      Return the lazily loaded CONTCAR payload, or ``None`` when absent.

      The read uses this object's ``precision`` (warning when it was not supplied).


   .. py:property:: outcar
      :type: httk.atomistic.integrations.vasp.io.outcar.OutcarFile | None


      Return the owned lazy OUTCAR reader, or ``None`` when absent.


   .. py:property:: xdatcar
      :type: httk.atomistic.integrations.vasp.io.xdatcar.XdatcarFile | None


      Return the owned lazy XDATCAR reader, or ``None`` when absent.


   .. py:property:: oszicar
      :type: dict[str, Any] | None


      Return the lazily loaded OSZICAR payload, or ``None`` when absent.


   .. py:property:: potcar
      :type: dict[str, Any] | None


      Return the lazily loaded POTCAR summary, or ``None`` when absent.