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 |
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 |
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!' |
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 |