Nwchem6.1 and NBO5.9 linked and working successfully
Thanks for Bert for his comments.
1- NBO guys introduced a new routine.
There are three instances of "CALL REORDER" and one "SUBROUTINE REORDER" in nwnbo.F. What I would recommend you do is to replace
CALL REORDER with CALL REORDERNBO
SUBROUTINE REORDER with SUBROUTINE REORDERNBO
And, I would recommend you do this in NWChem 6.0 or NWChem 6.1.
2- Simple fix: There are two locations in the code where you have "#include "geomP.fh".
Location 1: subroutine DELSCF
Action: Change
#include "bas.fh"
#include "geom.fh"
#include "geomP.fh"
To
#include "nwc_const.fh"
#include "bas.fh"
#include "geom.fh"
#include "geomP.fh"
Location 2: subroutine INTS1E
Action: Change
#include "geom.fh"
#include "geomP.fh"
To
#include "nwc_const.fh"
#include "geom.fh"
#include "geomP.fh"
Thanks
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