qp2/man/printing.1

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.TH "PRINTING" "1" "Mar 07, 2019" "2.0" "Quantum Package"
.SH NAME
printing \-  | Quantum Package >
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Once obtained the near\-FCI energy, one can also take a closer look at
the wave function stored in the \fI\%EZFIO\fP database. If the wave function
contains less than 10^4 determinants, you can directly read it
with the qp_edit command. Just run
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qp_edit file.ezfio
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\fBIMPORTANT:\fP
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The qp_edit mode virtually makes human\-friendly the
architecture of the \fI\%EZFIO\fP database through the use of a
the text editor defined by the \fBEDITOR\fP environment
variable.
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Then, look for the word \fIhand\fP when you are in the qp_edit
mode. If the research is negative, then it means that the wave
function stored in the \fI\%EZFIO\fP database is too large to be edited
interactively in qp_edit mode. An alternative is to use the
\fBprint_wf\fP command:
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qp_run print_wf file.ezfio | tee file.ezfio.fci_natorb.wf
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This program will, by default, print out the first 10^4
determinants whatever the size of the wave function stored in the
\fI\%EZFIO\fP directory. If you want to change the number of printed Slater
determinants, just change the \fBdeterminants n_det_print_wf\fP
keyword using the qp_edit tool.
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\fBSEE ALSO:\fP
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The documentation of the print_wf program.
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.SH AUTHOR
A. Scemama, E. Giner
.SH COPYRIGHT
2019, A. Scemama, E. Giner
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