[ViewVC] Diff of: group/trunk/OOPSE_old/src/mdtools/libmdCode/calc_reaction

Comparing trunk/OOPSE_old/src/mdtools/libmdCode/calc_reaction_field.F90 (file contents):
Revision 360 by gezelter, Tue Mar 18 16:46:47 2003 UTC vs.
Revision 361 by gezelter, Tue Mar 18 19:09:12 2003 UTC

#	Line 36 \| Line 36 \| contains
36
37		integer, intent(in) :: atom1, atom2
38		real (kind = dp), intent(in) :: rij
39	<	real (kind = dp), dimension(3, getNlocal()) :: u_l
39	>	real (kind = dp), dimension(:,:) :: u_l
40
41		integer :: me1, me2
42		real (kind = dp) :: taper, mu1, mu2
#	Line 108 \| Line 108 \| contains
108
109		integer, intent(in) :: atom1
110		real(kind=dp), intent(in) :: mu1
111	<	real(kind=dp), dimension(3,getNlocal()) :: u_l
111	>	real(kind=dp), dimension(:,:) :: u_l
112
113		!! should work for both MPI and non-MPI version since this is not pairwise.
114		rf(1,atom1) = rf(1,atom1) + u_l(1,atom1)*mu1
#	Line 124 \| Line 124 \| contains
124		real (kind=dp), intent(in) :: mu1
125		real (kind=dp), intent(inout) :: rfpot
126		logical, intent(in) :: do_pot
127	<	real (kind = dp), dimension(3, getNlocal()) :: u_l
128	<	real (kind = dp), dimension(3, getNlocal()) :: t
127	>	real (kind = dp), dimension(:,:) :: u_l
128	>	real (kind = dp), dimension(:,:) :: t
129
130		if (.not.rf_initialized) then
131		write(default_error,*) 'Reaction field not initialized!'
#	Line 156 \| Line 156 \| contains
156		integer, intent(in) :: atom1, atom2
157		real(kind=dp), dimension(3), intent(in) :: d
158		real(kind=dp), intent(in) :: rij
159	<	real( kind = dp ), dimension(3,getNlocal()) :: u_l
160	<	real( kind = dp ), dimension(3,getNlocal()) :: f
159	>	real( kind = dp ), dimension(:,:) :: u_l
160	>	real( kind = dp ), dimension(:,:) :: f
161		logical, intent(in) :: do_stress
162
163		real (kind = dp), dimension(3) :: ul1

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