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7.1.3 Writing orbitals

c-----------------------------------------------------------------------
      subroutine write_orb(orb,iset,type)
c-----------------------------------------------------------------------
      implicit double precision (a-h,o-z)
      character*(*) type
      dimension orb(*)
Writes an orbital matrix to an active dump record. type (input) is a string describing the orbital type, e.g. NATORB or CANONIAL. The input variable iset is the set number of the orbitals If iset exists, it is overwritten, otherwise a new set is created. if iset.eq.0, a new set is created. iset is not modified, but the actual set number used is stored in variable dump_iset. Canonical RHF orbitals are always set 1, while $\alpha$ and $\beta$ UHF orbitals have set numbers 1 and 2, respectively.

P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000