QPSH(1)

NAME
qpsh - | Quantum Package >

qpsh is the Quantum Package shell. It is a Bash shell with all the required evironment variables loaded, a modified prompt, and the qp command.

QP

This command is a hub to the most used command within Quantum Package. The power of the qpsh shell is the auto-completion that comes when the <Tab> key is pressed with the qp command.

  EZFIO access

set_file

    qp set_file EZFIO_DIR

    Sets the current EZFIO directory. All the following instruction will be relative to this directory.

    This command is equivalent to ezfio set_file EZFIO_DIR.

unset_file

    qp unset_file

    Unsets the current EZFIO directory.

    This command is equivalent to ezfio unset_file.

has

    qp has <module> <parameter>

    If the <module>/<parameter> is set in the EZFIO directory, returns 1. Otherwise returns 0.

    This command is equivalent to ezfio has <module> <parameter>.

get

    qp get <module> <parameter>

    Returns the value of <module>/<parameter>.

    This command is equivalent to ezfio get <module> <parameter>.

set

    qp set <module> <parameter> [<value>]

    Sets the value of <module>/<parameter>. If the value is not given in the command line it is read from the standard input.

    This command is equivalent to ezfio set <module> <parameter> [<value>].

  Running programs

run

    qp (run|srun|mpirun) [options] <program>

    Runs qp_run, qp_srun, or qp_mpirun using the current EZFIO directory.

stop
    qp stop : runs qp_stop

  Getting help

man

    qp man (<program>|<qp_command>)

    Displays a man page for a Quantum Package program or a Quantum Package command.

  Running quantum package commands

The qp_ commands can be run without specifying the EZFIO directory:

convert_output_to_ezfio
    qp convert_output_to_ezfio : runs qp_convert_output_to_ezfio

create_ezfio
    qp create_ezfio : runs qp_create_ezfio

plugins
    qp plugins : runs qp_plugins

reset
    qp reset : runs qp_reset

set_frozen_core
    qp set_frozen_core : runs qp_set_frozen_core

set_mo_class
    qp set_mo_class : runs qp_set_mo_class

update
    qp update : runs qp_update

AUTHOR
A. Scemama, E. Giner

COPYRIGHT
2019, A. Scemama, E. Giner