Re: EXTRA_PTS: frtype 2 Should not be here

From: Artem Mamonov <artem.mercury.chem.pitt.edu>
Date: Tue, 25 Feb 2003 18:49:42 -0500 (EST)

Here is a solution i found:
In extra_pts.f:

new:
            if ( numnghbr(1,m) .lt. 2 .or.numnghbr(2,m) .gt. 1 )then
              write(6,*)'EXTRA_PTS: frtype 2 Should not be here'
              call mexit(6,1)
            endif

old:

            if ( numnghbr(1,m) .ne. 3 .or.numnghbr(2,m) .gt. 0 )then
              write(6,*)'EXTRA_PTS: frtype 2 Should not be here'
              call mexit(6,1)
            endif


Artem Mamonov
Graduate Student
Department of Chemistry
University of Pittsburgh
Pittsburgh PA 15260
Tel:(412) 624-7125
Received on Wed Feb 26 2003 - 00:53:01 PST