11 |
|
end subroutine setScreeningMethod |
12 |
|
|
13 |
|
subroutine setElectrostaticCutoffRadius(the_rcut, the_rsw) |
14 |
< |
use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius |
14 |
> |
|
15 |
|
use definitions, ONLY : dp |
16 |
+ |
use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius |
17 |
+ |
|
18 |
|
real(kind=dp), intent(inout) :: the_rcut |
19 |
|
real(kind=dp), intent(inout) :: the_rsw |
20 |
|
call module_setECR(the_rcut, the_rsw) |
21 |
+ |
|
22 |
|
end subroutine setElectrostaticCutoffRadius |
23 |
|
|
24 |
|
subroutine setDampingAlpha(the_alpha) |
25 |
< |
use electrostatic_module, ONLY : module_setDA => setDampingAlpha |
25 |
> |
|
26 |
|
use definitions, ONLY : dp |
27 |
+ |
use electrostatic_module, ONLY : module_setDA => setDampingAlpha |
28 |
+ |
|
29 |
|
real(kind=dp),intent(inout) :: the_alpha |
30 |
|
call module_setDA(the_alpha) |
31 |
+ |
|
32 |
|
end subroutine setDampingAlpha |
33 |
|
|
34 |
|
subroutine setReactionFieldDielectric(the_dielectric) |
35 |
< |
use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric |
35 |
> |
|
36 |
|
use definitions, ONLY : dp |
37 |
+ |
use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric |
38 |
+ |
|
39 |
|
real(kind=dp),intent(inout) :: the_dielectric |
40 |
|
call module_setRFD(the_dielectric) |
41 |
+ |
|
42 |
|
end subroutine setReactionFieldDielectric |
43 |
|
|
44 |
|
subroutine newElectrostaticType(atp, status) |
72 |
|
|
73 |
|
subroutine setCharge(ident, charge, status) |
74 |
|
|
75 |
+ |
use definitions, ONLY : dp |
76 |
|
use electrostatic_module, ONLY : module_setCharge => setCharge |
77 |
|
|
68 |
– |
integer, parameter :: DP = selected_real_kind(15) |
78 |
|
integer,intent(inout) :: ident |
79 |
|
real(kind=dp),intent(inout) :: charge |
80 |
|
integer,intent(inout) :: status |
85 |
|
|
86 |
|
subroutine setDipoleMoment(ident, dipole_moment, status) |
87 |
|
|
88 |
+ |
use definitions, ONLY : dp |
89 |
|
use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment |
90 |
|
|
81 |
– |
integer, parameter :: DP = selected_real_kind(15) |
91 |
|
integer,intent(inout) :: ident |
92 |
|
real(kind=dp),intent(inout) :: dipole_moment |
93 |
|
integer,intent(inout) :: status |
98 |
|
|
99 |
|
subroutine setSplitDipoleDistance(ident, split_dipole_distance, status) |
100 |
|
|
101 |
+ |
use definitions, ONLY : dp |
102 |
|
use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance |
103 |
|
|
94 |
– |
integer, parameter :: DP = selected_real_kind(15) |
104 |
|
integer,intent(inout) :: ident |
105 |
|
real(kind=dp),intent(inout) :: split_dipole_distance |
106 |
|
integer,intent(inout) :: status |
111 |
|
|
112 |
|
subroutine setQuadrupoleMoments(ident, quadrupole_moments, status) |
113 |
|
|
114 |
+ |
use definitions, ONLY : dp |
115 |
|
use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments |
116 |
|
|
107 |
– |
integer, parameter :: DP = selected_real_kind(15) |
117 |
|
integer,intent(inout) :: ident |
118 |
|
real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments |
119 |
|
integer,intent(inout) :: status |