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qp2/man/printing.1

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.\" Man page generated from reStructuredText.
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.TH "PRINTING" "1" "Jan 17, 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 \fIvim\fP\-like editor.
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Then, look for the word “hand” 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 folder. 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.
.sp
\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
2018, A. Scemama, E. Giner
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