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.TH "FCIDUMP" "1" "Jan 16, 2019" "2.0" "Quantum Package"
.SH NAME
fcidump \-  | Quantum Package >
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.sp
Produce a regular FCIDUMP file from the MOs stored in the \fI\%EZFIO\fP folder.
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.INDENT 3.5
To specify an active space, the class of the mos have to set in the \fI\%EZFIO\fP folder (see qp_set_mo_class).
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The fcidump program supports 3 types of MO_class :
.INDENT 0.0
.IP \(bu 2
the “core” orbitals which are always doubly occupied in the calculation
.IP \(bu 2
the “del” orbitals that are never occupied in the calculation
.IP \(bu 2
the “act” orbitals that will be occupied by a varying number of electrons
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File: \fBtools/fcidump.irp.f\fP
.SH AUTHOR
A. Scemama, E. Giner
.SH COPYRIGHT
2018, A. Scemama, E. Giner
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