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152 lines
3.9 KiB
Fortran
152 lines
3.9 KiB
Fortran
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subroutine spher_harm_func_r3(r,l,m,re_ylm, im_ylm)
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implicit none
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integer, intent(in) :: l,m
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double precision, intent(in) :: r(3)
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double precision, intent(out) :: re_ylm, im_ylm
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double precision :: theta, phi,r_abs
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call cartesian_to_spherical(r,theta,phi,r_abs)
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call spher_harm_func(l,m,theta,phi,re_ylm, im_ylm)
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end
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subroutine spher_harm_func_m_pos(l,m,theta,phi,re_ylm, im_ylm)
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include 'constants.include.F'
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implicit none
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BEGIN_DOC
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! Y_lm(theta,phi) with m >0
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!
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END_DOC
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double precision, intent(in) :: theta, phi
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integer, intent(in) :: l,m
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double precision, intent(out):: re_ylm,im_ylm
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double precision :: prefact,fact,cos_theta,plgndr,p_lm
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double precision :: tmp
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prefact = dble(2*l+1)*fact(l-m)/(dfour_pi * fact(l+m))
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prefact = dsqrt(prefact)
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cos_theta = dcos(theta)
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p_lm = plgndr(l,m,cos_theta)
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tmp = prefact * p_lm
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re_ylm = dcos(dble(m)*phi) * tmp
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im_ylm = dsin(dble(m)*phi) * tmp
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end
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subroutine spher_harm_func(l,m,theta,phi,re_ylm, im_ylm)
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implicit none
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BEGIN_DOC
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! Y_lm(theta,phi) with -l<m<+l
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!
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END_DOC
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double precision, intent(in) :: theta, phi
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integer, intent(in) :: l,m
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double precision, intent(out):: re_ylm,im_ylm
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double precision :: re_ylm_pos,im_ylm_pos,tmp
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integer :: minus_m
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if(abs(m).gt.l)then
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print*,'|m| > l in spher_harm_func !! stopping ...'
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stop
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endif
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if(m.ge.0)then
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call spher_harm_func_m_pos(l,m,theta,phi,re_ylm_pos, im_ylm_pos)
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re_ylm = re_ylm_pos
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im_ylm = im_ylm_pos
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else
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minus_m = -m !> 0
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call spher_harm_func_m_pos(l,minus_m,theta,phi,re_ylm_pos, im_ylm_pos)
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tmp = (-1)**minus_m
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re_ylm = tmp * re_ylm_pos
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im_ylm = -tmp * im_ylm_pos ! complex conjugate
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endif
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end
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subroutine cartesian_to_spherical(r,theta,phi,r_abs)
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implicit none
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double precision, intent(in) :: r(3)
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double precision, intent(out):: theta, phi,r_abs
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double precision :: r_2,x_2_y_2,tmp
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include 'constants.include.F'
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x_2_y_2 = r(1)*r(1) + r(2)*r(2)
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r_2 = x_2_y_2 + r(3)*r(3)
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r_abs = dsqrt(r_2)
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if(r_abs.gt.1.d-20)then
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theta = dacos(r(3)/r_abs)
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else
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theta = 0.d0
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endif
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if(.true.)then
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if(dabs(r(1)).gt.0.d0)then
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tmp = datan(r(2)/r(1))
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! phi = datan2(r(2),r(1))
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endif
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! From Wikipedia on Spherical Harmonics
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if(r(1).gt.0.d0)then
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phi = tmp
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else if(r(1).lt.0.d0.and.r(2).ge.0.d0)then
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phi = tmp + pi
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else if(r(1).lt.0.d0.and.r(2).lt.0.d0)then
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phi = tmp - pi
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else if(r(1)==0.d0.and.r(2).gt.0.d0)then
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phi = 0.5d0*pi
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else if(r(1)==0.d0.and.r(2).lt.0.d0)then
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phi =-0.5d0*pi
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else if(r(1)==0.d0.and.r(2)==0.d0)then
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phi = 0.d0
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endif
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if(r(2).lt.0.d0.and.r(1).le.0.d0)then
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tmp = pi - dabs(phi)
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phi = pi + tmp
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else if(r(2).lt.0.d0.and.r(1).gt.0.d0)then
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phi = dtwo_pi + phi
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endif
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endif
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if(.false.)then
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x_2_y_2 = dsqrt(x_2_y_2)
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if(dabs(x_2_y_2).gt.1.d-20.and.dabs(r(2)).gt.1.d-20)then
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phi = dabs(r(2))/r(2) * dacos(r(1)/x_2_y_2)
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else
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phi = 0.d0
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endif
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endif
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end
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subroutine spher_harm_func_expl(l,m,theta,phi,re_ylm, im_ylm)
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implicit none
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BEGIN_DOC
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! Y_lm(theta,phi) with -l<m<+l and 0<= l <=2
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!
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END_DOC
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double precision, intent(in) :: theta, phi
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integer, intent(in) :: l,m
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double precision, intent(out):: re_ylm,im_ylm
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double precision :: tmp
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include 'constants.include.F'
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if(l==0.and.m==0)then
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re_ylm = 0.5d0 * inv_sq_pi
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im_ylm = 0.d0
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else if(l==1.and.m==1)then
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tmp = - inv_sq_pi * dsqrt(3.d0/8.d0) * dsin(theta)
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re_ylm = tmp * dcos(phi)
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im_ylm = tmp * dsin(phi)
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else if(l==1.and.m==0)then
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tmp = inv_sq_pi * dsqrt(3.d0/4.d0) * dcos(theta)
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re_ylm = tmp
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im_ylm = 0.d0
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else if(l==2.and.m==2)then
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tmp = 0.25d0 * inv_sq_pi * dsqrt(0.5d0*15.d0) * dsin(theta)*dsin(theta)
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re_ylm = tmp * dcos(2.d0*phi)
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im_ylm = tmp * dsin(2.d0*phi)
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else if(l==2.and.m==1)then
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tmp = - inv_sq_pi * dsqrt(15.d0/8.d0) * dsin(theta) * dcos(theta)
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re_ylm = tmp * dcos(phi)
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im_ylm = tmp * dsin(phi)
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else if(l==2.and.m==0)then
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tmp = dsqrt(5.d0/4.d0) * inv_sq_pi* (1.5d0*dcos(theta)*dcos(theta)-0.5d0)
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re_ylm = tmp
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im_ylm = 0.d0
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endif
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end
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