.\" Man page generated from reStructuredText. . .TH "QPSH" "1" "Jun 15, 2019" "2.0" "Quantum Package" .SH NAME qpsh \- | Quantum Package > . .nr rst2man-indent-level 0 . .de1 rstReportMargin \\$1 \\n[an-margin] level \\n[rst2man-indent-level] level margin: \\n[rst2man-indent\\n[rst2man-indent-level]] - \\n[rst2man-indent0] \\n[rst2man-indent1] \\n[rst2man-indent2] .. .de1 INDENT .\" .rstReportMargin pre: . RS \\$1 . nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin] . nr rst2man-indent-level +1 .\" .rstReportMargin post: .. .de UNINDENT . RE .\" indent \\n[an-margin] .\" old: \\n[rst2man-indent\\n[rst2man-indent-level]] .nr rst2man-indent-level -1 .\" new: \\n[rst2man-indent\\n[rst2man-indent-level]] .in \\n[rst2man-indent\\n[rst2man-indent-level]]u .. .sp \fBqpsh\fP is the \fIQuantum Package\fP shell. It is a Bash shell with all the required evironment variables loaded, a modified prompt, and the \fI\%qp\fP command. .SH QP .sp This command is a hub to the most used command within \fIQuantum Package\fP\&. The power of the \fI\%qpsh\fP shell is the auto\-completion that comes when the \fB\fP key is pressed with the \fI\%qp\fP command. .SS EZFIO access .INDENT 0.0 .TP .B set_file .INDENT 7.0 .INDENT 3.5 .sp .nf .ft C qp set_file EZFIO_DIR .ft P .fi .UNINDENT .UNINDENT .sp Sets the current \fI\%EZFIO\fP directory. All the following instruction will be relative to this directory. .sp This command is equivalent to \fBezfio set_file EZFIO_DIR\fP\&. .UNINDENT .INDENT 0.0 .TP .B unset_file .INDENT 7.0 .INDENT 3.5 .sp .nf .ft C qp unset_file .ft P .fi .UNINDENT .UNINDENT .sp Unsets the current \fI\%EZFIO\fP directory. .sp This command is equivalent to \fBezfio unset_file\fP\&. .UNINDENT .INDENT 0.0 .TP .B has .INDENT 7.0 .INDENT 3.5 .sp .nf .ft C qp has .ft P .fi .UNINDENT .UNINDENT .sp If the \fI/\fP is set in the \fI\%EZFIO\fP directory, returns 1. Otherwise returns 0. .sp This command is equivalent to \fBezfio has \fP\&. .UNINDENT .INDENT 0.0 .TP .B get .INDENT 7.0 .INDENT 3.5 .sp .nf .ft C qp get .ft P .fi .UNINDENT .UNINDENT .sp Returns the value of \fI/\fP\&. .sp This command is equivalent to \fBezfio get \fP\&. .UNINDENT .INDENT 0.0 .TP .B set .INDENT 7.0 .INDENT 3.5 .sp .nf .ft C qp set [] .ft P .fi .UNINDENT .UNINDENT .sp Sets the value of \fI/\fP\&. If the value is not given in the command line it is read from the standard input. .sp This command is equivalent to \fBezfio set []\fP\&. .UNINDENT .SS Running programs .INDENT 0.0 .TP .B run .INDENT 7.0 .INDENT 3.5 .INDENT 0.0 .INDENT 3.5 .sp .nf .ft C qp (run|srun|mpirun) [options] .ft P .fi .UNINDENT .UNINDENT .UNINDENT .UNINDENT .sp Runs qp_run, \fBqp_srun\fP, or \fBqp_mpirun\fP using the current \fI\%EZFIO\fP directory. .UNINDENT .INDENT 0.0 .TP .B stop \fBqp stop\fP : runs qp_stop .UNINDENT .SS Getting help .INDENT 0.0 .TP .B man .INDENT 7.0 .INDENT 3.5 .INDENT 0.0 .INDENT 3.5 .sp .nf .ft C qp man (|) .ft P .fi .UNINDENT .UNINDENT .UNINDENT .UNINDENT .sp Displays a man page for a \fIQuantum Package\fP program or a \fIQuantum Package\fP command. .UNINDENT .SS Running quantum package commands .sp The \fBqp_\fP commands can be run without specifying the \fI\%EZFIO\fP directory: .INDENT 0.0 .TP .B convert_output_to_ezfio \fBqp convert_output_to_ezfio\fP : runs qp_convert_output_to_ezfio .UNINDENT .INDENT 0.0 .TP .B create_ezfio \fBqp create_ezfio\fP : runs qp_create_ezfio .UNINDENT .INDENT 0.0 .TP .B plugins \fBqp plugins\fP : runs qp_plugins .UNINDENT .INDENT 0.0 .TP .B reset \fBqp reset\fP : runs qp_reset .UNINDENT .INDENT 0.0 .TP .B set_frozen_core \fBqp set_frozen_core\fP : runs qp_set_frozen_core .UNINDENT .INDENT 0.0 .TP .B set_mo_class \fBqp set_mo_class\fP : runs qp_set_mo_class .UNINDENT .INDENT 0.0 .TP .B update \fBqp update\fP : runs qp_update .UNINDENT .SH AUTHOR A. Scemama, E. Giner .SH COPYRIGHT 2019, A. Scemama, E. Giner .\" Generated by docutils manpage writer. .