mirror of https://github.com/abinit/abipy.git
45 lines
1.4 KiB
ReStructuredText
45 lines
1.4 KiB
ReStructuredText
.. _abicomp.py:
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^^^^^^^^^^^^^^
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``abicomp.py``
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^^^^^^^^^^^^^^
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This script compares output results stored in multiple netcdf_ files.
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For example, one can compare the crystalline structure used in different calculations
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or compare the electronic bands stored in two or more netcdf_ files (e.g. GSR.nc_ or ``WFK.nc``).
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Depending on COMMAND, ``abicomp`` either starts an ``ipython`` session so that the user can interact
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with the ``robot`` or print the results to screen.
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For instance, the command::
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abicomp.py structure out1_GSR.nc out2_GSR.nc
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compares the crystalline structures reported in two ``GSR.nc`` files and print the result to screen while::
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abicomp.py gsr out*_GSR.nc
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starts an ipython session.
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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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abicomp.py gsr out1_GSR.nc out2_GSR.nc -p
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It is possible to generate automatically a jupyter_ notebook with the ``-nb`` option e.g.::
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abicomp.py gsr out1_GSR.nc out2_GSR.nc -nb
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Finally, use ``-e`` (``--expose``) to generate matplotlib plots automatically::
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abicomp.py gsr out1_GSR.nc out2_GSR.nc -e -sns=poster
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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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.. command-output:: abicomp.py --help
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Complete command line reference
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.. argparse::
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:ref: abipy.scripts.abicomp.get_parser
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:prog: abicomp.py
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