| 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 |
