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qp2/man/qp_edit.1

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.TH "QP_EDIT" "1" "Jun 15, 2019" "2.0" "Quantum Package"
.SH NAME
qp_edit \- | Quantum Package >
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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
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.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.
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\fBWARNING:\fP
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When the wave function is too large (more than 10 000 determinants), the
determinants are not displayed.
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\fBNOTE:\fP
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.INDENT 3.5
On some machines the terminal will be stuck in inverted colors after using
qp_edit. To Avoid this problem, put in your \fB$HOME/.vimrc\fP:
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set t_te=
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.fi
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.SH USAGE
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.sp
.nf
.ft C
qp_edit [\-c] [\-h] [\-n <int>] [\-s <range>] [\-\-] EZFIO_DIR
.ft P
.fi
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.TP
.B \-c, \-\-check
Checks the input data
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.TP
.B \-h, \-\-help
Print the help text and exits
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.TP
.B \-n, \-\-ndet=<int>
Truncates the wavefunction to the target number of determinants
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.TP
.B \-s, \-\-state=<range>
Select the states to extract from the \fI\%EZFIO\fP directory, using the same conventions
as qp_set_mo_class\&. See example below.
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.SH EXAMPLE
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.sp
.nf
.ft C
qp_edit \-\-state="[1,3\-5]" test.ezfio
.ft P
.fi
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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
2019, A. Scemama, E. Giner
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