44 |
|
|
45 |
|
end subroutine doForceloop |
46 |
|
|
47 |
+ |
subroutine getAccumulatedBoxDipole( box_dipole ) |
48 |
+ |
|
49 |
+ |
use definitions, ONLY: dp |
50 |
+ |
use doForces, ONLY: getBoxDipole |
51 |
+ |
|
52 |
+ |
!! simulation box dipole moment |
53 |
+ |
real ( kind = dp ), dimension(3) :: box_dipole |
54 |
+ |
|
55 |
+ |
call getBoxDipole( box_dipole ) |
56 |
+ |
|
57 |
+ |
end subroutine getAccumulatedBoxDipole |
58 |
+ |
|
59 |
+ |
subroutine setAccumulateBoxDipole() |
60 |
+ |
|
61 |
+ |
use doForces, ONLY: setBoxDipole |
62 |
+ |
|
63 |
+ |
call setBoxDipole() |
64 |
+ |
|
65 |
+ |
end subroutine setAccumulateBoxDipole |
66 |
+ |
|
67 |
|
subroutine setFortranElectrostaticMethod(electrostaticMethod) |
68 |
|
use doForces, ONLY : setElectrostaticMethod |
69 |
|
|