mirror of
https://github.com/LCPQ/quantum_package
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104 lines
2.4 KiB
Groff
104 lines
2.4 KiB
Groff
.\" Man page generated from reStructuredText.
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.TH "QP_EDIT" "1" "Jan 14, 2019" "2.0" "Quantum Package"
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.SH NAME
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qp_edit \- | Quantum Package >
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.
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.nr rst2man-indent-level 0
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.
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.de1 rstReportMargin
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\\$1 \\n[an-margin]
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level \\n[rst2man-indent-level]
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level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
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-
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\\n[rst2man-indent0]
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\\n[rst2man-indent1]
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\\n[rst2man-indent2]
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..
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.de1 INDENT
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.\" .rstReportMargin pre:
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. RS \\$1
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. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
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. nr rst2man-indent-level +1
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.\" .rstReportMargin post:
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..
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.de UNINDENT
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. RE
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.\" indent \\n[an-margin]
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.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.nr rst2man-indent-level -1
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.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
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..
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.sp
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This command reads the content of the \fI\%EZFIO\fP directory and creates a temporary
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file containing the data. The data is presented as a \fIReStructured Text\fP (rst)
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document, where each section corresponds to the corresponding \fIQuantum Package\fP module.
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The content of the file can be modified to change the input parameters. When
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the text editor is closed, the updated data is saved into the \fI\%EZFIO\fP directory.
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.sp
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\fBNOTE:\fP
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.INDENT 0.0
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.INDENT 3.5
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The text editor which will be opened is defined by the \fBEDITOR\fP
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environment variable.
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.UNINDENT
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.UNINDENT
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.sp
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\fBWARNING:\fP
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.INDENT 0.0
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.INDENT 3.5
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When the wave function is too large (more than 10 000 determinants), the
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determinants are not displayed.
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.UNINDENT
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.UNINDENT
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.SH USAGE
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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qp_edit [FLAGS] <EZFIO_DIRECTORY>
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Flags :
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[\-c] [\-ndet int]
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[\-state int] [\-help]
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-c
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Checks the input data
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-ndet <int>
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Truncates the wavefunction to the target number of determinants
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-state <int>
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Pick the target state as a new wavefunction.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-help
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Print the help text and exits
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.UNINDENT
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.sp
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Here is a short list of important control parameters :
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.INDENT 0.0
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.TP
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.B read_wf
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If \fBfalse\fP, initialize the calculation with a single\-determinant wave
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function. If \fBtrue\fP, initialize the calculation with the wave function stored
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in the \fI\%EZFIO\fP directory.
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.UNINDENT
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.SH AUTHOR
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A. Scemama, E. Giner
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.SH COPYRIGHT
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2018, A. Scemama, E. Giner
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.\" Generated by docutils manpage writer.
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