mirror of
https://github.com/LCPQ/quantum_package
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62 lines
1.3 KiB
ReStructuredText
62 lines
1.3 KiB
ReStructuredText
.. _qp_edit:
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=======
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qp_edit
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=======
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.. program:: qp_edit
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This command reads the content of the |EZFIO| directory and creates a temporary
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file containing the data. The data is presented as a *ReStructured Text* (rst)
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document, where each section corresponds to the corresponding |qp| module.
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The content of the file can be modified to change the input parameters. When
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the text editor is closed, the updated data is saved into the |EZFIO| directory.
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.. note::
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The text editor which will be opened is defined by the :envvar:`EDITOR`
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environment variable.
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.. warning::
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When the wave function is too large (more than 10 000 determinants), the
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determinants are not displayed.
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Usage
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-----
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.. code:: bash
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qp_edit [FLAGS] <EZFIO_DIRECTORY>
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Flags :
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[-c] [-ndet int]
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[-state int] [-help]
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.. option:: -c
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Checks the input data
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.. option:: -ndet <int>
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Truncates the wavefunction to the target number of determinants
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.. option:: -state <int>
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Pick the target state as a new wavefunction.
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.. option:: -help
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Print the help text and exits
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Here is a short list of important control parameters :
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.. option:: read_wf
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If ``false``, initialize the calculation with a single-determinant wave
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function. If ``true``, initialize the calculation with the wave function stored
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in the |EZFIO| directory.
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