--- trunk/OOPSE/libmdtools/do_Forces.F90 2003/04/01 16:50:14 441 +++ trunk/OOPSE/libmdtools/do_Forces.F90 2003/04/05 02:56:27 462 @@ -4,7 +4,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: do_Forces.F90,v 1.7 2003-04-01 16:50:14 chuckv Exp $, $Date: 2003-04-01 16:50:14 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $ +!! @version $Id: do_Forces.F90,v 1.10 2003-04-05 02:56:27 gezelter Exp $, $Date: 2003-04-05 02:56:27 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $ module do_Forces use force_globals @@ -246,7 +246,7 @@ contains !! save current configuration, construct neighbor list, !! and calculate forces - call saveNeighborList(q) + call saveNeighborList(nlocal, q) neighborListSize = size(list) nlist = 0 @@ -313,7 +313,7 @@ contains ! save current configuration, contruct neighbor list, ! and calculate forces - call saveNeighborList(q) + call saveNeighborList(natoms, q) neighborListSize = size(list) @@ -499,10 +499,10 @@ contains subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) real( kind = dp ) :: pot - real( kind = dp ), dimension(:,:) :: u_l - real (kind=dp), dimension(:,:) :: A - real (kind=dp), dimension(:,:) :: f - real (kind=dp), dimension(:,:) :: t + real( kind = dp ), dimension(3,getNlocal()) :: u_l + real (kind=dp), dimension(9,getNlocal()) :: A + real (kind=dp), dimension(3,getNlocal()) :: f + real (kind=dp), dimension(3,getNlocal()) :: t logical, intent(inout) :: do_pot, do_stress integer, intent(in) :: i, j