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c_real_space_electrostatic_sum.f90
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c_real_space_electrostatic_sum.f90
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! MIT License
!
! Copyright (c) 2019-2020 William C. Witt
!
! Permission is hereby granted, free of charge, to any person obtaining a copy
! of this software and associated documentation files (the "Software"), to deal
! in the Software without restriction, including without limitation the rights
! to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
! copies of the Software, and to permit persons to whom the Software is
! furnished to do so, subject to the following conditions:
!
! The above copyright notice and this permission notice shall be included in all
! copies or substantial portions of the Software.
!
! THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
! IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
! FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
! AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
! LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
! OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
! SOFTWARE.
module c_real_space_electrostatic_sum
use iso_c_binding, only: c_double, c_int
use real_space_electrostatic_sum
implicit none
contains
subroutine c_real_space_electrostatic_sum_energy(&
a1, a2, a3, n, rx, ry, rz, z, rc, rd, e) bind(c)
!______________________________________________________________________________
!
implicit none
real(c_double), intent(in) :: a1(3), a2(3), a3(3)
integer(c_int), intent(in) :: n
real(c_double), intent(in) :: rx(n), ry(n), rz(n)
real(c_double), intent(in) :: z(n)
real(c_double), intent(in) :: rc
real(c_double), intent(in) :: rd
real(c_double), intent(out) :: e
!______________________________________________________________________________
!
call energy(a1, a2, a3, n, rx, ry, rz, z, rc, rd, e)
end subroutine
subroutine c_real_space_electrostatic_sum_force(&
a1, a2, a3, n, rx, ry, rz, z, rc, rd, fx, fy, fz) bind(c)
!______________________________________________________________________________
!
implicit none
real(c_double), intent(in) :: a1(3), a2(3), a3(3)
integer(c_int), intent(in) :: n
real(c_double), intent(in) :: rx(n), ry(n), rz(n)
real(c_double), intent(in) :: z(n)
real(c_double), intent(in) :: rc
real(c_double), intent(in) :: rd
real(c_double), intent(out) :: fx(n), fy(n), fz(n)
!______________________________________________________________________________
!
call force(a1, a2, a3, n, rx, ry, rz, z, rc, rd, fx, fy, fz)
end subroutine
subroutine c_real_space_electrostatic_sum_stress(&
a1, a2, a3, n, rx, ry, rz, z, rc, rd, s) bind(c)
!______________________________________________________________________________
!
implicit none
real(c_double), intent(in) :: a1(3), a2(3), a3(3)
integer(c_int), intent(in) :: n
real(c_double), intent(in) :: rx(n), ry(n), rz(n)
real(c_double), intent(in) :: z(n)
real(c_double), intent(in) :: rc
real(c_double), intent(in) :: rd
real(c_double), intent(out) :: s(6)
!______________________________________________________________________________
!
call stress(a1, a2, a3, n, rx, ry, rz, z, rc, rd, s)
end subroutine
end module