.\" Man page generated from reStructuredText. . .TH "QP_STOP" "1" "Jun 15, 2019" "2.0" "Quantum Package" .SH NAME qp_stop \- | 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 Requests for a clean termination of the program. .sp This will have the effect to exit the Davidson diagonalization, the SCF procedure or the determinant selection to save the current wave function and exit the program. .SH USAGE .INDENT 0.0 .INDENT 3.5 .sp .nf .ft C qp_stop [\-chq] EZFIO_DIR .ft P .fi .UNINDENT .UNINDENT .INDENT 0.0 .TP .B \-c, \-\-cancel Cancel the qp_stop order. .UNINDENT .INDENT 0.0 .TP .B \-q, \-\-query Ask if \fBEZFIO_DIR\fP was requested to stop. .UNINDENT .SH AUTHOR A. Scemama, E. Giner .SH COPYRIGHT 2019, A. Scemama, E. Giner .\" Generated by docutils manpage writer. .