--- trunk/OOPSE/libmdtools/do_Forces.F90 2004/04/28 21:39:22 1138 +++ trunk/OOPSE/libmdtools/do_Forces.F90 2004/05/01 18:52:38 1144 @@ -4,7 +4,7 @@ !! @author Charles F. Vardeman II !! @author Matthew Meineke -!! @version $Id: do_Forces.F90,v 1.52 2004-04-28 21:39:22 gezelter Exp $, $Date: 2004-04-28 21:39:22 $, $Name: not supported by cvs2svn $, $Revision: 1.52 $ +!! @version $Id: do_Forces.F90,v 1.53 2004-05-01 18:52:38 tim Exp $, $Date: 2004-05-01 18:52:38 $, $Name: not supported by cvs2svn $, $Revision: 1.53 $ module do_Forces use force_globals @@ -161,7 +161,7 @@ contains SIM_requires_prepair_calc = SimRequiresPrepairCalc() SIM_uses_directional_atoms = SimUsesDirectionalAtoms() SIM_uses_PBC = SimUsesPBC() - SIM_uses_molecular_cutoffs = SimUsesMolecularCutoffs() + !SIM_uses_molecular_cutoffs = SimUsesMolecularCutoffs() haveSIMvariables = .true. @@ -370,14 +370,12 @@ contains !! Does force loop over i,j pairs. Calls do_pair to calculates forces. !-------------------------------------------------------------> - subroutine do_force_loop(q, qcom, mfact, A, u_l, f, t, tau, pot, & + subroutine do_force_loop(q, qcom, A, u_l, f, t, tau, pot, & do_pot_c, do_stress_c, error) !! Position array provided by C, dimensioned by getNlocal real ( kind = dp ), dimension(3,nLocal) :: q !! molecular center-of-mass position array real ( kind = dp ), dimension(3,nLocal) :: qcom - !! mass factors used for molecular cutoffs - real ( kind = dp ), dimension(3,nLocal) :: mfact !! Rotation Matrix for each long range particle in simulation. real( kind = dp), dimension(9,nLocal) :: A !! Unit vectors for dipoles (lab frame)