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potential.f90
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potential.f90
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subroutine calc_POT
use workspace
implicit none
POT = 0.0d0
if (enablePot) then
if (potType .eq. 0) then
call calc_OBJPOT_obj
end if
if (potType .eq. 1) then
call calc_OBJPOT_surf
end if
end if
if (enableTrap) then
if (trapType .eq. 0) then
call add_harmonic_trap
end if
if (trapType .eq. 1) then
call add_hard_circle_trap
end if
if (trapType .eq. 2) then
call add_hard_box_trap
end if
if (trapType .eq. 3) then
call add_soft_circle_trap
end if
end if
end subroutine
subroutine calc_OBJPOT_surf
use workspace
use io
implicit none
if (RANK .eq. 0) then
write (6, "(a)") "Building surface potential..."
end if
call read_surf_file_RK4(SURFfilename)
end subroutine
subroutine calc_OBJPOT_obj
use workspace
implicit none
integer :: i, j, k
double precision :: rx, ry, rz
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
rx = GX(i) - OBJX
ry = GY(j) - OBJY
rz = GZ(k) - OBJZ
POT(i, j, k) = OBJHEIGHT*EXP(-(1.0d0/OBJXSCALE**2.0d0)*(rx**2.0d0) &
- (1.0d0/OBJYSCALE**2.0d0)*(ry**2.0d0) &
- (1.0d0/OBJZSCALE**2.0d0)*(rz**2.0d0))
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine add_harmonic_trap
use workspace
implicit none
integer :: i, j, k
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
POT(i, j, k) = POT(i, j, k) + 0.5d0*(TXSCALE*(GX(i) - TX)**2.0d0 &
+ TYSCALE*(GY(j) - TY)**2.0d0 &
+ TZSCALE*(GZ(k) - TZ)**2.0d0)
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine add_hard_circle_trap
use workspace
implicit none
integer :: i, j, k
double precision :: rx, ry, rz, r
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
rx = 1.0d0/TXSCALE*(GX(i) - TX)
ry = 1.0d0/TYSCALE*(GY(j) - TY)
rz = 1.0d0/TZSCALE*(GZ(k) - TZ)
r = SQRT(rx**2.0 + ry**2.0 + rz**2.0)
if (r > TRAPR) then
POT(i, j, k) = POT(i, j, k) + TRAPHEIGHT
end if
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine add_soft_circle_trap
use workspace
implicit none
integer :: i, j, k
double precision :: rx, ry, rz, r
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
rx = 1.0d0/TXSCALE*(GX(i) - TX)
ry = 1.0d0/TYSCALE*(GY(j) - TY)
rz = 1.0d0/TZSCALE*(GZ(k) - TZ)
r = SQRT(rx**2.0 + ry**2.0 + rz**2.0)
POT(i, j, k) = POT(i, j, k) + TRAPHEIGHT/(1.0d0 + EXP(-TRAPBETA*(ABS(r) - TRAPR)))
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine add_hard_box_trap
use workspace
implicit none
integer :: i, j, k
double precision :: rx, ry, rz, r
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
rx = 1.0d0/TXSCALE*(GX(i) - TX)
ry = 1.0d0/TYSCALE*(GY(j) - TY)
rz = 1.0d0/TZSCALE*(GZ(k) - TZ)
r = SQRT(rx**2.0 + ry**2.0 + rz**2.0)
if (abs(rx) > TRAPR .OR. abs(ry) > TRAPR .OR. abs(rz) > TRAPR) then
POT(i, j, k) = POT(i, j, k) + TRAPHEIGHT
end if
end do
end do
end do
!$OMP end parallel do
end subroutine