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

  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)

  call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
       is_SplitDipole, is_Quadrupole, 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:	2204
Committed:	Fri Apr 15 22:04:00 2005 UTC (19 years, 4 months ago) by gezelter
File size:	2705 byte(s)
Log Message:	xemacs has been drafted to perform our indentation services
#	User	Rev	Content
1	gezelter	2095	subroutine newElectrostaticType(atp, status)
2	gezelter	2204
3	gezelter	2095	use electrostatic_module, ONLY : module_newElectrostaticType => newElectrostaticType
4	gezelter	2204
5	gezelter	2095	#define __FORTRAN90
6			#include "types/AtomTypeProperties.h"
7	gezelter	2204
8	gezelter	2095	type(AtomTypeProperties), intent(in) :: atp
9			integer, intent(inout) :: status
10
11			integer :: ident
12			logical :: is_Electrostatic, is_Charge, is_Dipole
13			logical :: is_SplitDipole, is_Quadrupole
14
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	gezelter	2204
24	gezelter	2095	call module_newElectrostaticType(ident, is_Charge, is_Dipole, &
25			is_SplitDipole, is_Quadrupole, status)
26	gezelter	2204
27	gezelter	2095	end subroutine newElectrostaticType
28
29			subroutine setCharge(ident, charge, status)
30
31			use electrostatic_module, ONLY : module_setCharge => setCharge
32
33			integer, parameter :: DP = selected_real_kind(15)
34			integer,intent(inout) :: ident
35			real(kind=dp),intent(inout) :: charge
36			integer,intent(inout) :: status
37	gezelter	2204
38	gezelter	2095	call module_setCharge(ident, charge, status)
39	gezelter	2204
40	gezelter	2095	end subroutine setCharge
41
42			subroutine setDipoleMoment(ident, dipole_moment, status)
43
44			use electrostatic_module, ONLY : module_setDipoleMoment => setDipoleMoment
45
46			integer, parameter :: DP = selected_real_kind(15)
47			integer,intent(inout) :: ident
48			real(kind=dp),intent(inout) :: dipole_moment
49			integer,intent(inout) :: status
50	gezelter	2204
51	gezelter	2095	call module_setDipoleMoment(ident, dipole_moment, status)
52	gezelter	2204
53	gezelter	2095	end subroutine setDipoleMoment
54
55			subroutine setSplitDipoleDistance(ident, split_dipole_distance, status)
56
57			use electrostatic_module, ONLY : module_setSplitDipoleDistance => setSplitDipoleDistance
58
59			integer, parameter :: DP = selected_real_kind(15)
60			integer,intent(inout) :: ident
61			real(kind=dp),intent(inout) :: split_dipole_distance
62			integer,intent(inout) :: status
63	gezelter	2204
64	gezelter	2095	call module_setSplitDipoleDistance(ident, split_dipole_distance, status)
65	gezelter	2204
66	gezelter	2095	end subroutine setSplitDipoleDistance
67
68			subroutine setQuadrupoleMoments(ident, quadrupole_moments, status)
69	gezelter	2204
70	gezelter	2095	use electrostatic_module, ONLY : module_setQuadrupoleMoments => setQuadrupoleMoments
71	gezelter	2204
72	gezelter	2095	integer, parameter :: DP = selected_real_kind(15)
73			integer,intent(inout) :: ident
74			real(kind=dp),intent(inout),dimension(3) :: quadrupole_moments
75			integer,intent(inout) :: status
76	gezelter	2204
77	gezelter	2095	call module_setQuadrupoleMoments(ident, quadrupole_moments, status)
78	gezelter	2204
79	gezelter	2095	end subroutine setQuadrupoleMoments
80	chuckv	2189
81			subroutine destroyElectrostaticTypes()
82	chuckv	2194	use electrostatic_module, ONLY: m_destroyElectrostaticTypes =>destroyElectrostaticTypes
83	chuckv	2189
84	chuckv	2194	call m_destroyElectrostaticTypes()
85	chuckv	2189
86			end subroutine destroyElectrostaticTypes