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.. program:: gpaw
.. highlight:: bash
.. index:: gpaw, command line interface, CLI
.. _cli:
======================
Command line interface
======================
GPAW has a command line tool called :program:`gpaw` with the following
sub-commands:
============== =====================================================
sub-command description
============== =====================================================
help Help for sub-command
run Run calculation with GPAW
info Show versions of GPAW and its dependencies
dos Calculate (projected) density of states from gpw-file
gpw Write summary of GPAW-restart file
completion Add tab-completion for Bash
atom Solve radial equation for an atom
python Run GPAW's parallel Python interpreter
sbatch Submit a GPAW Python script via sbatch
dataset Calculate density of states from gpw-file
symmetry Analyse symmetry
install-data Install PAW datasets, pseudopotential or basis sets
============== =====================================================
Help
====
You can do::
$ gpaw --help
$ gpaw sub-command --help
to get help (or ``-h`` for short).
Other command-line tools
========================
There are also CLI tools for analysing :ref:`point groups`
and for :ref:`hyperfine`. Try::
$ python3 -m gpaw.point_groups --help
$ python3 -m gpaw.hyperfine --help
See also::
$ python3 -m gpaw.utilities.dipole --help
$ python3 -m gpaw.utilities.ekin --help
.. _bash completion:
Bash completion
===============
You can enable bash completion like this::
$ gpaw completions
This will append a line like this::
complete -o default -C /path/to/gpaw/gpaw/cli/complete.py gpaw
to your ``~/.bashrc``.
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