******************************************************************************** * * * 2DHF version 1-2003 * * Copyright (C) 1996 Jacek Kobus, Leif Laaksonen, Dage Sundholm * * * * This software may be used and distributed according to the terms * * of the GNU General Public License, see README and COPYING. * * * ******************************************************************************** c ### homo ### c c Determines Ci symmetry of a given orbital (or set of orbitals) and uses c it to replace the values in the [pi/2,pi] region by these from the c [0,pi/2] one. subroutine homo (iorb,psi) implicit integer*4 (i-n) implicit real*8 (a-h,o-z) include 'commons8.inc' dimension psi(*) c ihsym = 1 - symmetry g c ihsym =-1 - symmetry u if (iorb.eq.0) then iorb1=1 iorb2=norb else iorb1=iorb iorb2=iorb endif n2=nni/2+1 do i=iorb1,iorb2 ibeg = i1b(i) nmut = i1mu(i) ihsym=ihomo(i) call homo_det (n2,nmut,psi(ibeg),ihsym) if (idbg(99).ne.0) then write(*,*) 'homo: ihomo(iorb),ihsym', & iorn(i),bond(i),gut(i),ihomo(i),ihsym endif enddo return end