7.3.5 Searching for a specific dataset in a dump record

Subroutine search_dump can be used to check if a certain data set is present in a dump record and what its set number is.

c-----------------------------------------------------------------------
      subroutine search_dump(irec,ifil,name,isetin,
     >     type,ntype,istate,isyref,ms2,nelec,ipri,
     >     itype,iset,iset_first,iset_last,idiff)
c-----------------------------------------------------------------------
      implicit double precision (a-h,o-z)
      character*(*) name,type(ntype)

Input:

irec,ifil

Record to be read.

name

Specifies type of data (e.g., ORBITALS).

isetin

If .gt.0, the specific set number required.

type

Subtype(s) (e.g. NATORB, CANONICAL)

ntype

Number of types. The ntype types are searched in the given order. If type is blank or ntype=0, the type is not checked.

istate

If istate.gt.0, data for this state are requested.

isyref

If isyref.gt.0, data for this wavefunction symmetry are requested.

ms2

If ms2.ge.0, data for this spin are requested.

nelec

If nelec.ge.0, data for this number of electrons are requested.

ipri

If ipri.eq.1, print message if no data are found (nset=0)
If ipri.ge.2, print message if specific data not found (iset=0)

Output:

itype

Element of type which has been found.

iset

Set number of requested data (to be used together with name) If one of the requests cannot be honored, iset=0 is returned. If more than one entry satisfy the request, the last one is used.

iset_first

Lowest set number found for name, independent of specifications (usually 1, zero if nothing is found).

iset_last

Highest set number set found for name, independent of specifications (zero if nothing is found).

idiff

Ff nonzero, basis dimension on record not the same as the current ones.