UseTheForce/DarkSide/electrostatic_interface.F90

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:	532
Committed:	Tue May 17 22:35:01 2005 UTC (20 years, 5 months ago) by chrisfen
File size:	2760 byte(s)
Log Message:	Modifications to tap. Also correcting changes to the previous merge that were not caught
#	User	Rev	Content
1	gezelter	411	subroutine newElectrostaticType(atp, status)
2	gezelter	507
3	gezelter	411	use electrostatic_module, ONLY : module_newElectrostaticType => newElectrostaticType
4	gezelter	507
5	gezelter	411	#define __FORTRAN90
6			#include "types/AtomTypeProperties.h"
7	gezelter	507
8	gezelter	411	type(AtomTypeProperties), intent(in) :: atp
9			integer, intent(inout) :: status
10
11			integer :: ident
12			logical :: is_Electrostatic, is_Charge, is_Dipole
13	chrisfen	532	logical :: is_SplitDipole, is_Quadrupole, is_Tap
14	gezelter	411
15			ident = atp%ident
16			is_Electrostatic = ((atp%is_Charge .ne. 0) .or. &
17			(atp%is_Dipole .ne. 0)) .or. &
18			(atp%is_Quadrupole .ne. 0)
19			is_Charge = (atp%is_Charge .ne. 0)
20			is_Dipole = (atp%is_Dipole .ne. 0)
21			is_SplitDipole = (atp%is_SplitDipole .ne. 0)
22			is_Quadrupole = (atp%is_Quadrupole .ne. 0)
23	chrisfen	532	is_Tap = (atp%is_StickyPower .ne. 0)
24	gezelter	507
25	gezelter	411	call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
26	chrisfen	532	is_SplitDipole, is_Quadrupole, is_Tap, status)
27	gezelter	507
28	gezelter	411	end subroutine newElectrostaticType
29
30			subroutine setCharge(ident, charge, status)
31
32			use electrostatic_module, ONLY : module_setCharge => setCharge
33
34			integer, parameter :: DP = selected_real_kind(15)
35			integer,intent(inout) :: ident
36			real(kind=dp),intent(inout) :: charge
37			integer,intent(inout) :: status
38	gezelter	507
39	gezelter	411	call module_setCharge(ident, charge, status)
40	gezelter	507
41	gezelter	411	end subroutine setCharge
42
43			subroutine setDipoleMoment(ident, dipole_moment, status)
44
45			use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment
46
47			integer, parameter :: DP = selected_real_kind(15)
48			integer,intent(inout) :: ident
49			real(kind=dp),intent(inout) :: dipole_moment
50			integer,intent(inout) :: status
51	gezelter	507
52	gezelter	411	call module_setDipoleMoment(ident, dipole_moment, status)
53	gezelter	507
54	gezelter	411	end subroutine setDipoleMoment
55
56			subroutine setSplitDipoleDistance(ident, split_dipole_distance, status)
57
58			use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance
59
60			integer, parameter :: DP = selected_real_kind(15)
61			integer,intent(inout) :: ident
62			real(kind=dp),intent(inout) :: split_dipole_distance
63			integer,intent(inout) :: status
64	gezelter	507
65	gezelter	411	call module_setSplitDipoleDistance(ident, split_dipole_distance, status)
66	gezelter	507
67	gezelter	411	end subroutine setSplitDipoleDistance
68
69			subroutine setQuadrupoleMoments(ident, quadrupole_moments, status)
70	gezelter	507
71	gezelter	411	use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments
72	gezelter	507
73	gezelter	411	integer, parameter :: DP = selected_real_kind(15)
74			integer,intent(inout) :: ident
75			real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments
76			integer,intent(inout) :: status
77	gezelter	507
78	gezelter	411	call module_setQuadrupoleMoments(ident, quadrupole_moments, status)
79	gezelter	507
80	gezelter	411	end subroutine setQuadrupoleMoments
81	chuckv	492
82			subroutine destroyElectrostaticTypes()
83	chuckv	497	use electrostatic_module, ONLY: m_destroyElectrostaticTypes =>destroyElectrostaticTypes
84	chuckv	492
85	chuckv	497	call m_destroyElectrostaticTypes()
86	chuckv	492
87			end subroutine destroyElectrostaticTypes