mirror of https://github.com/abinit/abipy.git
55 lines
2.0 KiB
ReStructuredText
55 lines
2.0 KiB
ReStructuredText
.. _abiopen.py:
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^^^^^^^^^^^^^^
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``abiopen.py``
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^^^^^^^^^^^^^^
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AbiPy provides python objects associated to several Abinit output files.
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These objects implement methods to analyze and plot the results.
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The examples in our :ref:`plot-gallery` use this API to plot data with matplotlib_.
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The ``abiopen.py`` script provides a handy interface to the AbiPy objects.
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It can be used to open Abinit files directly in the ipython_ shell or inside a jupyter_
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notebook and interact with the associated object (called ``abifile`` in the ``ipython`` terminal).
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The syntax of the script is::
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abiopen.py FILE [options]
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where ``FILE`` is one of the files supported by AbiPy (usually in netcdf_ format but other
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files are supported as well e.g. Abinit input and output files in text format).
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By default ``abiopen`` starts an ``ipython`` session and the user can interact with the ``abifile``
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and invoke its methods.
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Alternatively, it is possible to generate automatically a jupyter_ notebook with the ``-nb`` option e.g.::
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abiopen.py out_FATBANDS.nc -nb
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will produce a notebook to visualize the electronic fatbands inside your default web browser.
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Use the ``-p`` option if you just want to get information on the file without opening it, e.g.::
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abiopen.py out_GSR.nc -p
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or the ``-e`` (``--expose``) to generate matplotlib plots automatically::
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abiopen.py out_GSR.nc -e -sns=talk
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seaborn_ plot style and settings can be changed from the command line interface with the `-sns` option
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The script uses the file extension to decide what to do with the file and the type
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of python object that should be instantiated.
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The list of supported file extensions is obtained with:
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.. command-output:: abiopen.py --help
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.. WARNING::
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AbiPy uses the ``.abi`` extension for Abinit input files, ``.abo`` for output files and ``.log`` for log files.
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Please follow this convention to facilitate the integration with AbiPy.
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Complete command line reference
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.. argparse::
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:ref: abipy.scripts.abiopen.get_parser
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:prog: abiopen.py
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