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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius

  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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setDA => setDampingAlpha

  real(kind=dp),intent(inout) :: the_alpha
  call module_setDA(the_alpha)

end subroutine setDampingAlpha
 
subroutine setReactionFieldDielectric(the_dielectric)

  use definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric

  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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setCharge => setCharge

  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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment

  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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance

  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 definitions, ONLY : dp
  use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments

  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:	2756
Committed:	Wed May 17 15:37:15 2006 UTC (18 years, 3 months ago) by gezelter
File size:	4001 byte(s)
Log Message:	Getting fortran side prepped for single precision...
#	User	Rev	Content
1	chrisfen	2552	subroutine setElectrostaticSummationMethod(the_ESM)
2			use electrostatic_module, ONLY : module_setESM => setElectrostaticSummationMethod
3	gezelter	2301	integer,intent(inout) :: the_ESM
4			call module_setESM(the_ESM)
5	chrisfen	2552	end subroutine setElectrostaticSummationMethod
6	gezelter	2301
7	chrisfen	2409	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	2381	subroutine setElectrostaticCutoffRadius(the_rcut, the_rsw)
14	gezelter	2756
15			use definitions, ONLY : dp
16	gezelter	2301	use electrostatic_module, ONLY : module_setECR => setElectrostaticCutoffRadius
17	gezelter	2756
18	gezelter	2301	real(kind=dp), intent(inout) :: the_rcut
19	chrisfen	2381	real(kind=dp), intent(inout) :: the_rsw
20			call module_setECR(the_rcut, the_rsw)
21	gezelter	2756
22	gezelter	2301	end subroutine setElectrostaticCutoffRadius
23
24	chrisfen	2409	subroutine setDampingAlpha(the_alpha)
25	gezelter	2756
26			use definitions, ONLY : dp
27	chrisfen	2409	use electrostatic_module, ONLY : module_setDA => setDampingAlpha
28	gezelter	2756
29	chrisfen	2303	real(kind=dp),intent(inout) :: the_alpha
30	chrisfen	2409	call module_setDA(the_alpha)
31	gezelter	2756
32	chrisfen	2409	end subroutine setDampingAlpha
33	gezelter	2301
34			subroutine setReactionFieldDielectric(the_dielectric)
35	gezelter	2756
36			use definitions, ONLY : dp
37	gezelter	2301	use electrostatic_module, ONLY : module_setRFD => setReactionFieldDielectric
38	gezelter	2756
39	chrisfen	2303	real(kind=dp),intent(inout) :: the_dielectric
40	gezelter	2301	call module_setRFD(the_dielectric)
41	gezelter	2756
42	gezelter	2301	end subroutine setReactionFieldDielectric
43
44	gezelter	2095	subroutine newElectrostaticType(atp, status)
45	gezelter	2204
46	gezelter	2095	use electrostatic_module, ONLY : module_newElectrostaticType => newElectrostaticType
47	gezelter	2204
48	gezelter	2095	#define __FORTRAN90
49			#include "types/AtomTypeProperties.h"
50	gezelter	2204
51	gezelter	2095	type(AtomTypeProperties), intent(in) :: atp
52			integer, intent(inout) :: status
53
54			integer :: ident
55			logical :: is_Electrostatic, is_Charge, is_Dipole
56	chrisfen	2229	logical :: is_SplitDipole, is_Quadrupole, is_Tap
57	gezelter	2095
58			ident = atp%ident
59			is_Electrostatic = ((atp%is_Charge .ne. 0) .or. &
60			(atp%is_Dipole .ne. 0)) .or. &
61			(atp%is_Quadrupole .ne. 0)
62			is_Charge = (atp%is_Charge .ne. 0)
63			is_Dipole = (atp%is_Dipole .ne. 0)
64			is_SplitDipole = (atp%is_SplitDipole .ne. 0)
65			is_Quadrupole = (atp%is_Quadrupole .ne. 0)
66	chrisfen	2229	is_Tap = (atp%is_StickyPower .ne. 0)
67	gezelter	2204
68	gezelter	2095	call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
69	chrisfen	2229	is_SplitDipole, is_Quadrupole, is_Tap, status)
70	gezelter	2204
71	gezelter	2095	end subroutine newElectrostaticType
72
73			subroutine setCharge(ident, charge, status)
74
75	gezelter	2756	use definitions, ONLY : dp
76	gezelter	2095	use electrostatic_module, ONLY : module_setCharge => setCharge
77
78			integer,intent(inout) :: ident
79			real(kind=dp),intent(inout) :: charge
80			integer,intent(inout) :: status
81	gezelter	2204
82	gezelter	2095	call module_setCharge(ident, charge, status)
83	gezelter	2204
84	gezelter	2095	end subroutine setCharge
85
86			subroutine setDipoleMoment(ident, dipole_moment, status)
87
88	gezelter	2756	use definitions, ONLY : dp
89	gezelter	2095	use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment
90
91			integer,intent(inout) :: ident
92			real(kind=dp),intent(inout) :: dipole_moment
93			integer,intent(inout) :: status
94	gezelter	2204
95	gezelter	2095	call module_setDipoleMoment(ident, dipole_moment, status)
96	gezelter	2204
97	gezelter	2095	end subroutine setDipoleMoment
98
99			subroutine setSplitDipoleDistance(ident, split_dipole_distance, status)
100
101	gezelter	2756	use definitions, ONLY : dp
102	gezelter	2095	use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance
103
104			integer,intent(inout) :: ident
105			real(kind=dp),intent(inout) :: split_dipole_distance
106			integer,intent(inout) :: status
107	gezelter	2204
108	gezelter	2095	call module_setSplitDipoleDistance(ident, split_dipole_distance, status)
109	gezelter	2204
110	gezelter	2095	end subroutine setSplitDipoleDistance
111
112			subroutine setQuadrupoleMoments(ident, quadrupole_moments, status)
113	gezelter	2204
114	gezelter	2756	use definitions, ONLY : dp
115	gezelter	2095	use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments
116	gezelter	2204
117	gezelter	2095	integer,intent(inout) :: ident
118			real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments
119			integer,intent(inout) :: status
120	gezelter	2204
121	gezelter	2095	call module_setQuadrupoleMoments(ident, quadrupole_moments, status)
122	gezelter	2204
123	gezelter	2095	end subroutine setQuadrupoleMoments
124	chuckv	2189
125			subroutine destroyElectrostaticTypes()
126	chuckv	2194	use electrostatic_module, ONLY: m_destroyElectrostaticTypes =>destroyElectrostaticTypes
127	chuckv	2189
128	chuckv	2194	call m_destroyElectrostaticTypes()
129	chuckv	2189
130			end subroutine destroyElectrostaticTypes