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52 lines
1.8 KiB
ReStructuredText
52 lines
1.8 KiB
ReStructuredText
==================
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Ezfio_files Module
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==================
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This modules essentially contains the name of the EZFIO directory in the
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``ezfio_filename`` variable. This is read as the first argument of the
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command-line, or as the ``QPACKAGE_INPUT`` environment variable.
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Documentation
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=============
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.. Do not edit this section. It was auto-generated from the
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.. update_README.py.
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`ezfio_filename <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/ezfio.irp.f#L1>`_
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Name of EZFIO file. It is obtained from the QPACKAGE_INPUT environment
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variable if it is set, or as the 1st argument of the command line.
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`getunitandopen <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/get_unit_and_open.irp.f#L1>`_
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:f:
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file name
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.br
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:mode:
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'R' : READ, UNFORMATTED
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'W' : WRITE, UNFORMATTED
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'r' : READ, FORMATTED
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'w' : WRITE, FORMATTED
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'a' : APPEND, FORMATTED
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'x' : READ/WRITE, FORMATTED
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.br
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`output_cpu_time_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L2>`_
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Initial CPU and wall times when printing in the output files
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`output_wall_time_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L1>`_
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Initial CPU and wall times when printing in the output files
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`write_bool <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L88>`_
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Write an logical value in output
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`write_double <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L58>`_
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Write a double precision value in output
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`write_int <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L73>`_
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Write an integer value in output
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`write_time <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L42>`_
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Write a time stamp in the output for chronological reconstruction
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