.\" Man page generated from reStructuredText. . .TH "QP_EDIT" "1" "Jan 17, 2019" "2.0" "Quantum Package" .SH NAME qp_edit \- | 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 This command reads the content of the \fI\%EZFIO\fP directory and creates a temporary file containing the data. The data is presented as a \fIReStructured Text\fP (rst) document, where each section corresponds to the corresponding \fIQuantum Package\fP module. The content of the file can be modified to change the input parameters. When the text editor is closed, the updated data is saved into the \fI\%EZFIO\fP directory. .sp \fBNOTE:\fP .INDENT 0.0 .INDENT 3.5 The text editor which will be opened is defined by the \fBEDITOR\fP environment variable. If this variable is not set, the \fBvi\fP text editor will be used by default. .UNINDENT .UNINDENT .sp \fBWARNING:\fP .INDENT 0.0 .INDENT 3.5 When the wave function is too large (more than 10 000 determinants), the determinants are not displayed. .UNINDENT .UNINDENT .SH USAGE .INDENT 0.0 .INDENT 3.5 .sp .nf .ft C qp_edit [\-c] [\-h] [\-n ] [\-s ] [\-\-] EZFIO_DIR .ft P .fi .UNINDENT .UNINDENT .INDENT 0.0 .TP .B \-c, \-\-check Checks the input data .UNINDENT .INDENT 0.0 .TP .B \-h, \-\-help Print the help text and exits .UNINDENT .INDENT 0.0 .TP .B \-n, \-\-ndet= Truncates the wavefunction to the target number of determinants .UNINDENT .INDENT 0.0 .TP .B \-s, \-\-state= Select the states to extract from the \fI\%EZFIO\fP directory, using the same conventions as qp_set_mo_class\&. See example below. .UNINDENT .SH EXAMPLE .INDENT 0.0 .INDENT 3.5 .sp .nf .ft C qp_edit \-\-state="[1,3\-5]" test.ezfio .ft P .fi .UNINDENT .UNINDENT .sp Removes all states except states 1,3,4 and 5 from \fBtest.ezfio\fP\&. The resulting \fI\%EZFIO\fP directory has 4 states. .SH AUTHOR A. Scemama, E. Giner .SH COPYRIGHT 2018, A. Scemama, E. Giner .\" Generated by docutils manpage writer. .