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7.2 Finding start orbital records

Subroutine find_orb tries to find the best suitable starting orbitals for a given wave function type.
c-----------------------------------------------------------------------
      subroutine find_orb(nwf,nfil,ityp,idiff)
c-----------------------------------------------------------------------
      implicit double precision (a-h,o-z)
Input:
nwf, nfil
Default record to be searched first. If nwf.gt.0, this MUST be used.
If nwf=0, last saved orbitals will be searched first.
If nfil.eq.0, files 2,3,1 are searched.
If nfil.lt.0, start search with abs(nfil).
ityp
Type of present calculation:
ityp=1: HF
ityp=2: RHF
ityp=3: MCSCF
ityp=4: UHF
ityp=5: CI or CCSD
Output:
nwf,nfil
Record found. If nothing found, nwf=0 is returned.
idiff
If idiff.gt.0, orbitals found are for different basis.


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