= Traint =
<<TableOfContents(4)>>

{{{
Traint is used to transform integrals for post-HF and TDDFT.
}}}

== General keywords ==
=== FROZ ===
{{{#!wiki
The numbers of frozen core orbitals in $nreps irreps. 1 ≤ $nreps ≤ 8 since only Abelian group symmetry is supported.
}}}

=== DELE ===
{{{#!wiki
The numbers of virtual orbitals to be deleted in $nreps irreps. 1 ≤ $nreps ≤ 8 since only Abelian group symmetry is supported.
}}}

=== ORBI ===
{{{#!wiki
For CISD and other single reference method, input HFORB
For MRPT2, MRCI and other multi-reference method, input MCORB
}}}

=== MRPT2 ===
{{{#!wiki
The keyword for MO transformation to J(ij|rs) and K(ir|js) operators and (ia|bb) and (ib|ab), otherwise for full MO transformation.
}}}

=== REORDER ===
{{{#!wiki
N.A.
}}}

=== VAL ===
{{{#!wiki
N.A.
}}}

== For MCCEPA ==
=== MCCEPA ===
{{{#!wiki
N.A.
}}}

=== UNDMOL ===
{{{#!wiki
N.A.
}}}

== For TDDFT ==
=== UTDDFT ===
{{{#!wiki
N.A.
}}}

=== TDDFT ===
{{{#!wiki
N.A.
}}}

=== ALPHA ===
{{{#!wiki
The numbers of occupied alpha obitals in $nreps irreps in the TDDFT calculation. 1 ≤ $nreps ≤ 8 since only Abelian group symmetry is supported.
}}}

=== BETA ===
{{{#!wiki
c.f. '''ALPHA'''.
}}}

=== OCCUP ===
{{{#!wiki
c.f. '''ALPHA'''.
}}}

== For FCI ==
=== FCIDUMP ===
{{{#!wiki
N.A.
}}}

=== SYMM ===
{{{#!wiki
N.A.
}}}

=== NELE ===
{{{#!wiki
N.A.
}}}

=== SPIN ===
{{{#!wiki
N.A.
}}}