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67 lines
2 KiB
Fortran
67 lines
2 KiB
Fortran
***********************************************************************
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c:tex-% part of API Internal Routines
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c:tex-\subsubsection{cando\_sp}
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c:tex-This routine returns ``.true.'' to the calling integral API
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c:tex-routine the integrals over ISH and JSH can be computed using
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c:tex-the sp-rotated axis code.
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***********************************************************************
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c:tex-\begin{verbatim}
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logical function cando_sp(basisin,ish,jsh)
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c:tex-\end{verbatim}
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implicit none
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c $Id$
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c
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c this routine does not check the shell and int_init
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c because it is only called by routines that do this.
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c
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c
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#include "bas.fh"
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#include "basP.fh"
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#include "basdeclsP.fh"
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#include "candoP.fh"
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#include "geobasmapP.fh"
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#include "mafdecls.fh"
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#include "bas_ibs_dec.fh"
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c::passed
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c:tex-\begin{verbatim}
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integer basisin ! [input] basis set handle for identified shells
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integer ish, jsh ! [input] lexical shell index for I and J
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c:tex-\end{verbatim}
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c:tex-A zero [i|j]sh means ignore this shell. this allows one function
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c:tex-for all shell permutations and multiple basis sets
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c::local
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integer basis, mytype, mycont
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integer ucont
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#include "bas_ibs_sfn.fh"
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c
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if (user_cando_sp) then
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cando_sp = def_cando_sp
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return
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endif
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c
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cando_sp = .true.
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c
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basis = basisin + BASIS_HANDLE_OFFSET !:tex-A basis set handle computed by BASIS_HANDLE_OFFSET
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c
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c.... check ish
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if (ish.gt.0) then
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ucont = (sf_ibs_cn2ucn(ish,basis))
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mytype = infbs_cont(CONT_TYPE, ucont,basis)
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mycont = infbs_cont(CONT_NPRIM,ucont,basis)
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cando_sp = cando_sp .and.
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& ((mytype.eq.-1).or.(mytype.eq.0).or.(mytype.eq.1)) .and.
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$ (mycont.le.25)
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endif
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c
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c.... check jsh
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if (jsh.gt.0) then
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ucont = (sf_ibs_cn2ucn(jsh,basis))
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mytype = infbs_cont(CONT_TYPE, ucont,basis)
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mycont = infbs_cont(CONT_NPRIM,ucont,basis)
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cando_sp = cando_sp .and.
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& ((mytype.eq.-1).or.(mytype.eq.0).or.(mytype.eq.1)) .and.
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$ (mycont.le.25)
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endif
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c
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end
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