mirror of https://github.com/abinit/abipy.git
27 lines
843 B
ReStructuredText
27 lines
843 B
ReStructuredText
.. _abicomp.py:
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^^^^^^^^^^^^^^
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``abicomp.py``
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^^^^^^^^^^^^^^
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This script compares 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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By default the script displays the results/plots directly within the shell.
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Use the command::
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abicomp.py struct out1_GSR.nc out2_GSR.nc
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to compare the structures reported in two ``GSR.nc`` files and print the result to screen.
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Use ``--ipython`` to start an ipython_ terminal or ``-nb`` to generate a jupyter_ notebook, e.g.::
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abicomp.py ebands out1_GSR.nc out2_GSR.nc -nb
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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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