mirror of
https://github.com/LCPQ/quantum_package
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150 lines
2.7 KiB
ReStructuredText
150 lines
2.7 KiB
ReStructuredText
.. _qpsh:
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====
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qpsh
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====
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.. program:: qpsh
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:command:`qpsh` is the |qp| shell. It is a Bash shell with all
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the required evironment variables loaded, a modified prompt, and the
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:ref:`qp` command.
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.. _qp:
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.. program:: qp
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qp
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==
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This command is a hub to the most used command within |qp|.
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The power of the :ref:`qpsh` shell is the auto-completion that comes
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when the :kbd:`<Tab>` key is pressed with the :ref:`qp` command.
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EZFIO access
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------------
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.. option:: set_file
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.. code:: bash
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qp set_file EZFIO_DIR
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Sets the current |EZFIO| directory. All the following instruction will be
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relative to this directory.
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This command is equivalent to :command:`ezfio set_file EZFIO_DIR`.
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.. option:: unset_file
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.. code:: bash
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qp unset_file
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Unsets the current |EZFIO| directory.
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This command is equivalent to :command:`ezfio unset_file`.
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.. option:: has
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.. code:: bash
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qp has <module> <parameter>
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If the `<module>/<parameter>` is set in the |EZFIO| directory, returns 1.
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Otherwise returns 0.
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This command is equivalent to :command:`ezfio has <module> <parameter>`.
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.. option:: get
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.. code:: bash
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qp get <module> <parameter>
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Returns the value of `<module>/<parameter>`.
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This command is equivalent to :command:`ezfio get <module> <parameter>`.
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.. option:: set
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.. code:: bash
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qp set <module> <parameter> [<value>]
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Sets the value of `<module>/<parameter>`. If the value is not given in
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the command line it is read from the standard input.
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This command is equivalent to
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:command:`ezfio set <module> <parameter> [<value>]`.
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Running programs
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----------------
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.. option:: run
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.. code:: bash
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qp (run|srun|mpirun) [options] <program>
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Runs :ref:`qp_run`, :ref:`qp_srun`, or :ref:`qp_mpirun` using the current
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|EZFIO| directory.
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Getting help
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------------
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.. option:: man
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.. code:: bash
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qp man (<program>|<qp_command>)
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Displays a man page for a |qp| program or a |qp| command.
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Running quantum package commands
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--------------------------------
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The ``qp_`` commands can be run without specifying the |EZFIO| directory:
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.. option:: convert_output_to_ezfio
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:command:`qp convert_output_to_ezfio` : runs :ref:`qp_convert_output_to_ezfio`
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.. option:: create_ezfio
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:command:`qp create_ezfio` : runs :ref:`qp_create_ezfio`
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.. option:: plugins
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:command:`qp plugins` : runs :ref:`qp_plugins`
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.. option:: reset
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:command:`qp reset` : runs :ref:`qp_reset`
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.. option:: set_frozen_core
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:command:`qp set_frozen_core` : runs :ref:`qp_set_frozen_core`
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.. option:: set_mo_class
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:command:`qp set_mo_class` : runs :ref:`qp_set_mo_class`
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.. option:: update
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:command:`qp update` : runs :ref:`qp_update`
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