UseTheForce/DarkSide/electrostatic_interface.F90

subroutine setElectrostaticSummationMethod(the_ESM)
  use electrostatic_module, ONLY : module_setESM => setElectrostaticSummationMethod
  integer,intent(inout) :: the_ESM
  call module_setESM(the_ESM)
end subroutine setElectrostaticSummationMethod

subroutine setScreeningMethod(the_SM)
  use electrostatic_module, ONLY : module_setSM => setScreeningMethod
  integer,intent(inout) :: the_SM
  call module_setSM(the_SM)
end subroutine setScreeningMethod

subroutine setElectrostaticCutoffRadius(the_rcut, the_rsw)
  use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius
  use definitions, ONLY : dp
  real(kind=dp), intent(inout) :: the_rcut
  real(kind=dp), intent(inout) :: the_rsw
  call module_setECR(the_rcut, the_rsw)
end subroutine setElectrostaticCutoffRadius

subroutine setDampingAlpha(the_alpha)
  use electrostatic_module, ONLY : module_setDA => setDampingAlpha
  use definitions, ONLY : dp
  real(kind=dp),intent(inout) :: the_alpha
  call module_setDA(the_alpha)
end subroutine setDampingAlpha
 
subroutine setReactionFieldDielectric(the_dielectric)
  use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric
  use definitions, ONLY : dp
  real(kind=dp),intent(inout) :: the_dielectric
  call module_setRFD(the_dielectric)
end subroutine setReactionFieldDielectric

subroutine newElectrostaticType(atp, status)

  use electrostatic_module, ONLY : module_newElectrostaticType => newElectrostaticType

#define __FORTRAN90
#include "types/AtomTypeProperties.h"

  type(AtomTypeProperties), intent(in) :: atp
  integer, intent(inout) :: status

  integer :: ident
  logical :: is_Electrostatic, is_Charge, is_Dipole
  logical :: is_SplitDipole, is_Quadrupole, is_Tap

  ident = atp%ident
  is_Electrostatic = ((atp%is_Charge .ne. 0) .or. &
       (atp%is_Dipole .ne. 0)) .or. &
       (atp%is_Quadrupole .ne. 0)
  is_Charge = (atp%is_Charge .ne. 0)
  is_Dipole = (atp%is_Dipole .ne. 0)
  is_SplitDipole = (atp%is_SplitDipole .ne. 0)
  is_Quadrupole = (atp%is_Quadrupole .ne. 0)
  is_Tap = (atp%is_StickyPower .ne. 0)

  call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
       is_SplitDipole, is_Quadrupole, is_Tap, status)

end subroutine newElectrostaticType

subroutine setCharge(ident, charge, status)

  use electrostatic_module, ONLY : module_setCharge => setCharge

  integer, parameter :: DP = selected_real_kind(15)
  integer,intent(inout) :: ident
  real(kind=dp),intent(inout) :: charge
  integer,intent(inout) :: status

  call module_setCharge(ident, charge, status)

end subroutine setCharge

subroutine setDipoleMoment(ident, dipole_moment, status)

  use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment

  integer, parameter :: DP = selected_real_kind(15)
  integer,intent(inout) :: ident
  real(kind=dp),intent(inout) :: dipole_moment
  integer,intent(inout) :: status

  call module_setDipoleMoment(ident, dipole_moment, status)

end subroutine setDipoleMoment

subroutine setSplitDipoleDistance(ident, split_dipole_distance, status)

  use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance

  integer, parameter :: DP = selected_real_kind(15)
  integer,intent(inout) :: ident
  real(kind=dp),intent(inout) :: split_dipole_distance
  integer,intent(inout) :: status

  call module_setSplitDipoleDistance(ident, split_dipole_distance, status)

end subroutine setSplitDipoleDistance

subroutine setQuadrupoleMoments(ident, quadrupole_moments, status)

  use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments

  integer, parameter :: DP = selected_real_kind(15)
  integer,intent(inout) :: ident
  real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments
  integer,intent(inout) :: status

  call module_setQuadrupoleMoments(ident, quadrupole_moments, status)

end subroutine setQuadrupoleMoments

subroutine destroyElectrostaticTypes()
  use electrostatic_module, ONLY: m_destroyElectrostaticTypes =>destroyElectrostaticTypes

  call m_destroyElectrostaticTypes()

end subroutine destroyElectrostaticTypes
Revision:	710
Committed:	Wed Nov 2 20:36:25 2005 UTC (19 years, 6 months ago) by chrisfen
File size:	4084 byte(s)
Log Message:	changing how we deal with summation and screening methods
#	User	Rev	Content
1	gezelter	602	subroutine setElectrostaticSummationMethod(the_ESM)
2			use electrostatic_module, ONLY : module_setESM => setElectrostaticSummationMethod
3			integer,intent(inout) :: the_ESM
4			call module_setESM(the_ESM)
5			end subroutine setElectrostaticSummationMethod
6
7	chrisfen	710	subroutine setScreeningMethod(the_SM)
8			use electrostatic_module, ONLY : module_setSM => setScreeningMethod
9			integer,intent(inout) :: the_SM
10			call module_setSM(the_SM)
11			end subroutine setScreeningMethod
12
13	chrisfen	682	subroutine setElectrostaticCutoffRadius(the_rcut, the_rsw)
14	gezelter	602	use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius
15	chrisfen	604	use definitions, ONLY : dp
16	gezelter	602	real(kind=dp), intent(inout) :: the_rcut
17	chrisfen	682	real(kind=dp), intent(inout) :: the_rsw
18			call module_setECR(the_rcut, the_rsw)
19	gezelter	602	end subroutine setElectrostaticCutoffRadius
20
21	chrisfen	710	subroutine setDampingAlpha(the_alpha)
22			use electrostatic_module, ONLY : module_setDA => setDampingAlpha
23	chrisfen	604	use definitions, ONLY : dp
24			real(kind=dp),intent(inout) :: the_alpha
25	chrisfen	710	call module_setDA(the_alpha)
26			end subroutine setDampingAlpha
27	gezelter	602
28			subroutine setReactionFieldDielectric(the_dielectric)
29			use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric
30	chrisfen	604	use definitions, ONLY : dp
31			real(kind=dp),intent(inout) :: the_dielectric
32	gezelter	602	call module_setRFD(the_dielectric)
33			end subroutine setReactionFieldDielectric
34
35	gezelter	411	subroutine newElectrostaticType(atp, status)
36	gezelter	507
37	gezelter	411	use electrostatic_module, ONLY : module_newElectrostaticType => newElectrostaticType
38	gezelter	507
39	gezelter	411	#define __FORTRAN90
40			#include "types/AtomTypeProperties.h"
41	gezelter	507
42	gezelter	411	type(AtomTypeProperties), intent(in) :: atp
43			integer, intent(inout) :: status
44
45			integer :: ident
46			logical :: is_Electrostatic, is_Charge, is_Dipole
47	chrisfen	532	logical :: is_SplitDipole, is_Quadrupole, is_Tap
48	gezelter	411
49			ident = atp%ident
50			is_Electrostatic = ((atp%is_Charge .ne. 0) .or. &
51			(atp%is_Dipole .ne. 0)) .or. &
52			(atp%is_Quadrupole .ne. 0)
53			is_Charge = (atp%is_Charge .ne. 0)
54			is_Dipole = (atp%is_Dipole .ne. 0)
55			is_SplitDipole = (atp%is_SplitDipole .ne. 0)
56			is_Quadrupole = (atp%is_Quadrupole .ne. 0)
57	chrisfen	532	is_Tap = (atp%is_StickyPower .ne. 0)
58	gezelter	507
59	gezelter	411	call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
60	chrisfen	532	is_SplitDipole, is_Quadrupole, is_Tap, status)
61	gezelter	507
62	gezelter	411	end subroutine newElectrostaticType
63
64			subroutine setCharge(ident, charge, status)
65
66			use electrostatic_module, ONLY : module_setCharge => setCharge
67
68			integer, parameter :: DP = selected_real_kind(15)
69			integer,intent(inout) :: ident
70			real(kind=dp),intent(inout) :: charge
71			integer,intent(inout) :: status
72	gezelter	507
73	gezelter	411	call module_setCharge(ident, charge, status)
74	gezelter	507
75	gezelter	411	end subroutine setCharge
76
77			subroutine setDipoleMoment(ident, dipole_moment, status)
78
79			use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment
80
81			integer, parameter :: DP = selected_real_kind(15)
82			integer,intent(inout) :: ident
83			real(kind=dp),intent(inout) :: dipole_moment
84			integer,intent(inout) :: status
85	gezelter	507
86	gezelter	411	call module_setDipoleMoment(ident, dipole_moment, status)
87	gezelter	507
88	gezelter	411	end subroutine setDipoleMoment
89
90			subroutine setSplitDipoleDistance(ident, split_dipole_distance, status)
91
92			use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance
93
94			integer, parameter :: DP = selected_real_kind(15)
95			integer,intent(inout) :: ident
96			real(kind=dp),intent(inout) :: split_dipole_distance
97			integer,intent(inout) :: status
98	gezelter	507
99	gezelter	411	call module_setSplitDipoleDistance(ident, split_dipole_distance, status)
100	gezelter	507
101	gezelter	411	end subroutine setSplitDipoleDistance
102
103			subroutine setQuadrupoleMoments(ident, quadrupole_moments, status)
104	gezelter	507
105	gezelter	411	use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments
106	gezelter	507
107	gezelter	411	integer, parameter :: DP = selected_real_kind(15)
108			integer,intent(inout) :: ident
109			real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments
110			integer,intent(inout) :: status
111	gezelter	507
112	gezelter	411	call module_setQuadrupoleMoments(ident, quadrupole_moments, status)
113	gezelter	507
114	gezelter	411	end subroutine setQuadrupoleMoments
115	chuckv	492
116			subroutine destroyElectrostaticTypes()
117	chuckv	497	use electrostatic_module, ONLY: m_destroyElectrostaticTypes =>destroyElectrostaticTypes
118	chuckv	492
119	chuckv	497	call m_destroyElectrostaticTypes()
120	chuckv	492
121			end subroutine destroyElectrostaticTypes