Next: 7.3.10 Reading transition density Up: 7.3 Read-only operations on Previous: 7.3.8 Reading orbitals for

7.3.9 Reading density matrices

c-----------------------------------------------------------------------
      subroutine get_den(den,irec,ifil,iset,ipri)
c-----------------------------------------------------------------------
      implicit double precision (a-h,o-z)
      dimension den(*)
Reads a density matrix iset from dump record irec on file ifil. If irec=0 or iset=0, the record and specifications read by density_inp are used. In this case, the request must be strictly fulfilled. If the record has not been specified by density_inp, the present default dump record (wf(1)) is used. If iset$ \gt 0$, the requested set is read from the default record or the one read by density_inp (other information read by density_inp is ignored). If irec$ \gt 0$ and iset $ \gt 0$ the specified set is read from the given record and all information from density_inp is ignored. If ipri $ \gt 0$, information about the density matrix is printed (one line). The density matrix is stored in trianguar form.

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