= Traint = <> {{{ 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 N.A. }}} === 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. }}}