1461 lines
41 KiB
Fortran
1461 lines
41 KiB
Fortran
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! ---------------------------
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MODULE math
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! ---------------------------
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! *** Math helpers ***
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use precision, only: pReal,pInt
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implicit none
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real(pReal), parameter I3(3,3) = math_identity(3)
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real(pReal), parameter pi = (2.0_pReal)*dasin(1.0_pReal)
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real(pReal), parameter inDeg = 180.0_pReal/pi
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real(pReal), parameter inRad = pi/180.0_pReal
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contains
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! *** Initialize random number generator ***
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! *** for later use in mpie_fiber and mpie_disturbOri ***
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subroutine math_init ()
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use prec, only: pReal,pInt
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implicit none
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integer (pInt) seed
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call random_seed()
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call get_seed (seed)
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call halton_seed_set(seed)
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call halton_ndim_set(3)
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end
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c********************************************************************
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c This routine calculates the determinant of a
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c********************************************************************
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function math_det(a)
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use prec, only: pReal,pInt
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implicit none
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c
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real(pReal) a(3,3), math_det, v1, v2, v3
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c
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v1 = a(1,1)*(a(2,2)*a(3,3)-a(2,3)*a(3,2))
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v2 = a(1,2)*(a(2,1)*a(3,3)-a(2,3)*a(3,1))
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v3 = a(1,3)*(a(2,1)*a(3,2)-a(2,2)*a(3,1))
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math_det = v1-v2+v3
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return
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end function
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c********************************************************************
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c This routine coverts a symmetric 3,3 matrix into an array of 6
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c********************************************************************
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function math_33to6(m33)
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use prec, only: pReal,pInt
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implicit none
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c
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real(pReal) m33(3,3), math_33to6(6)
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c
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math_33to6(1)=m33(1,1)
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math_33to6(2)=m33(2,2)
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math_33to6(3)=m33(3,3)
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math_33to6(4)=m33(1,2)
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math_33to6(5)=m33(2,3)
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math_33to6(6)=m33(1,3)
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return
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end function
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c
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c
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c********************************************************************
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c This routine coverts an array of 6 into a symmetric 3,3 matrix
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c********************************************************************
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function math_6to33(v6)
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use prec, only: pReal,pInt
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implicit none
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c
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real(pReal) math_6to33(3,3), v6(6)
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c
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math_6to33(1,1)=v6(1)
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math_6to33(2,2)=v6(2)
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math_6to33(3,3)=v6(3)
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math_6to33(1,2)=v6(4)
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math_6to33(2,1)=v6(4)
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math_6to33(2,3)=v6(5)
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math_6to33(3,2)=v6(5)
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math_6to33(1,3)=v6(6)
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math_6to33(3,1)=v6(6)
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return
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end function
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!********************************************************************************
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!** This routine transforms the stiffness matrix **
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!********************************************************************************
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function math_66to3333(C66)
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use prec, ONLY: pReal, pInt
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implicit none
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real(pReal) C66(6,6), math_66to3333(3,3,3,3)
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math_66to3333(1,1,1,1)=C66(1,1)
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math_66to3333(1,1,2,2)=C66(1,2)
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math_66to3333(1,1,3,3)=C66(1,3)
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math_66to3333(1,1,2,3)=C66(1,4)
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math_66to3333(1,1,3,2)=C66(1,4)
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math_66to3333(1,1,1,3)=C66(1,5)
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math_66to3333(1,1,3,1)=C66(1,5)
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math_66to3333(1,1,1,2)=C66(1,6)
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math_66to3333(1,1,2,1)=C66(1,6)
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math_66to3333(2,2,1,1)=C66(2,1)
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math_66to3333(2,2,2,2)=C66(2,2)
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math_66to3333(2,2,3,3)=C66(2,3)
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math_66to3333(2,2,2,3)=C66(2,4)
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math_66to3333(2,2,3,2)=C66(2,4)
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math_66to3333(2,2,1,3)=C66(2,5)
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math_66to3333(2,2,3,1)=C66(2,5)
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math_66to3333(2,2,1,2)=C66(2,6)
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math_66to3333(2,2,2,1)=C66(2,6)
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math_66to3333(3,3,1,1)=C66(3,1)
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math_66to3333(3,3,2,2)=C66(3,2)
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math_66to3333(3,3,3,3)=C66(3,3)
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math_66to3333(3,3,2,3)=C66(3,4)
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math_66to3333(3,3,3,2)=C66(3,4)
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math_66to3333(3,3,1,3)=C66(3,5)
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math_66to3333(3,3,3,1)=C66(3,5)
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math_66to3333(3,3,1,2)=C66(3,6)
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math_66to3333(3,3,2,1)=C66(3,6)
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math_66to3333(2,3,1,1)=C66(4,1)
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math_66to3333(3,2,1,1)=C66(4,1)
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math_66to3333(2,3,2,2)=C66(4,2)
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math_66to3333(3,2,2,2)=C66(4,2)
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math_66to3333(2,3,3,3)=C66(4,3)
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math_66to3333(3,2,3,3)=C66(4,3)
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math_66to3333(2,3,2,3)=C66(4,4)
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math_66to3333(2,3,3,2)=C66(4,4)
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math_66to3333(3,2,2,3)=C66(4,4)
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math_66to3333(3,2,3,2)=C66(4,4)
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math_66to3333(2,3,3,1)=C66(4,5)
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math_66to3333(2,3,1,3)=C66(4,5)
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math_66to3333(2,3,3,1)=C66(4,5)
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math_66to3333(3,2,1,3)=C66(4,5)
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math_66to3333(2,3,1,2)=C66(4,6)
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math_66to3333(2,3,2,1)=C66(4,6)
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math_66to3333(3,2,1,2)=C66(4,6)
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math_66to3333(3,2,2,1)=C66(4,6)
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math_66to3333(3,1,1,1)=C66(5,1)
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math_66to3333(1,3,1,1)=C66(5,1)
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math_66to3333(3,1,2,2)=C66(5,2)
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math_66to3333(1,3,2,2)=C66(5,2)
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math_66to3333(3,1,3,3)=C66(5,3)
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math_66to3333(1,3,3,3)=C66(5,3)
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math_66to3333(3,1,2,3)=C66(5,4)
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math_66to3333(3,1,3,2)=C66(5,4)
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math_66to3333(1,3,2,3)=C66(5,4)
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math_66to3333(1,3,3,2)=C66(5,4)
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math_66to3333(3,1,3,1)=C66(5,5)
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math_66to3333(3,1,1,3)=C66(5,5)
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math_66to3333(1,3,3,1)=C66(5,5)
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math_66to3333(1,3,1,3)=C66(5,5)
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math_66to3333(3,1,1,2)=C66(5,6)
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math_66to3333(3,1,2,1)=C66(5,6)
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math_66to3333(1,3,1,2)=C66(5,6)
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math_66to3333(1,3,2,1)=C66(5,6)
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math_66to3333(1,2,1,1)=C66(6,1)
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math_66to3333(2,1,1,1)=C66(6,1)
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math_66to3333(1,2,2,2)=C66(6,2)
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math_66to3333(2,1,2,2)=C66(6,2)
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math_66to3333(1,2,3,3)=C66(6,3)
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math_66to3333(2,1,3,3)=C66(6,3)
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math_66to3333(1,2,2,3)=C66(6,4)
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math_66to3333(1,2,3,2)=C66(6,4)
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math_66to3333(2,1,2,3)=C66(6,4)
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math_66to3333(2,1,3,2)=C66(6,4)
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math_66to3333(1,2,3,1)=C66(6,5)
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math_66to3333(1,2,1,3)=C66(6,5)
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math_66to3333(2,1,3,1)=C66(6,5)
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math_66to3333(2,1,1,3)=C66(6,5)
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math_66to3333(1,2,1,2)=C66(6,6)
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math_66to3333(1,2,2,1)=C66(6,6)
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math_66to3333(2,1,1,2)=C66(6,6)
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math_66to3333(2,1,2,1)=C66(6,6)
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return
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end function
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function math_3333to66(C3333)
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!********************************************************************************
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!** This routine transforms the stiffness matrix **
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!********************************************************************************
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use prec, ONLY: pReal, pInt
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implicit none
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real(pReal) math_3333to66(6,6), C3333(3,3,3,3)
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math_3333to66(1,1)=C3333(1,1,1,1)
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math_3333to66(1,2)=C3333(1,1,2,2)
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math_3333to66(1,3)=C3333(1,1,3,3)
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math_3333to66(1,4)=C3333(1,1,2,3)
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math_3333to66(1,5)=C3333(1,1,3,1)
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math_3333to66(1,6)=C3333(1,1,1,2)
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math_3333to66(2,1)=C3333(2,2,1,1)
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math_3333to66(2,2)=C3333(2,2,2,2)
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math_3333to66(2,3)=C3333(2,2,3,3)
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math_3333to66(2,4)=C3333(2,2,2,3)
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math_3333to66(2,5)=C3333(2,2,3,1)
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math_3333to66(2,6)=C3333(2,2,1,2)
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math_3333to66(3,1)=C3333(3,3,1,1)
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math_3333to66(3,2)=C3333(3,3,2,2)
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math_3333to66(3,3)=C3333(3,3,3,3)
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math_3333to66(3,4)=C3333(3,3,2,3)
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math_3333to66(3,5)=C3333(3,3,3,1)
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math_3333to66(3,6)=C3333(3,3,1,2)
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math_3333to66(4,1)=C3333(2,3,1,1)
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math_3333to66(4,2)=C3333(2,3,2,2)
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math_3333to66(4,3)=C3333(2,3,3,3)
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math_3333to66(4,4)=C3333(2,3,2,3)
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math_3333to66(4,5)=C3333(2,3,3,1)
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math_3333to66(4,6)=C3333(2,3,1,2)
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math_3333to66(5,1)=C3333(3,1,1,1)
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math_3333to66(5,2)=C3333(3,1,2,2)
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math_3333to66(5,3)=C3333(3,1,3,3)
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math_3333to66(5,4)=C3333(3,1,2,3)
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math_3333to66(5,5)=C3333(3,1,3,1)
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math_3333to66(5,6)=C3333(3,1,1,2)
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math_3333to66(6,1)=C3333(1,2,1,1)
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math_3333to66(6,2)=C3333(1,2,2,2)
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math_3333to66(6,3)=C3333(1,2,3,3)
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math_3333to66(6,4)=C3333(1,2,2,3)
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math_3333to66(6,5)=C3333(1,2,3,1)
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math_3333to66(6,6)=C3333(1,2,1,2)
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return
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end function
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c********************************************************************
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c This routine calculates Euler angles from orientation matrix
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c********************************************************************
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subroutine math_RtoEuler(orimat, phi1, PHI, phi2)
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use prec, ONLY: pReal, pInt
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implicit none
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c
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real(pReal) orimat(3,3), phi1, PHI, phi2
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real(pReal) sqhkl, squvw, sqhk, val
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c
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sqhkl=sqrt(orimat(1,3)*orimat(1,3)+orimat(2,3)*orimat(2,3)+
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1 orimat(3,3)*orimat(3,3))
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squvw=sqrt(orimat(1,1)*orimat(1,1)+orimat(2,1)*orimat(2,1)+
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1 orimat(3,1)*orimat(3,1))
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sqhk=sqrt(orimat(1,3)*orimat(1,3)+orimat(2,3)*orimat(2,3))
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c calculate PHI
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val=orimat(3,3)/sqhkl
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if(val.GT.1.0_ZdRe) val=1.0_pReal
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if(val.LT.-1.0_ZdRe) val=-1.0_pReal
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PHI=acos(val)
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c
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if(PHI.LT.1.0e-30_pReal) then
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c calculate phi2
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phi2=0.0
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c calculate phi1
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val=orimat(1,1)/squvw
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if(val.GT.1.0_pReal) val=1.0_pReal
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if(val.LT.-1.0_pReal) val=-1.0_pReal
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if(orimat(2,1).LE.0.0) then
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phi1=acos(val)
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else
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phi1=2.0_pReal*pi-acos(val)
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end if
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else
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c calculate phi2
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val=orimat(2,3)/sqhk
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if(val.GT.1.0_pReal) val=1.0_pReal
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if(val.LT.-1.0_pReal) val=-1.0_pReal
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if(orimat(1,3).GE.0.0) then
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phi2=acos(val)
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else
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phi2=2.0_pReal*pi-acos(val)
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end if
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c calculate phi1
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val=-orimat(3,2)/sin(PHI)
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if(val.GT.1.0_pReal) val=1.0_pReal
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if(val.LT.-1.0_pReal) val=-1.0_pReal
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if(orimat(3,1).GE.0.0) then
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phi1=acos(val)
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else
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phi1=2.0_pReal*pi-acos(val)
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end if
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end if
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c convert angles to degrees
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phi1=phi1*inDeg
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PHI=PHI*inDeg
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phi2=phi2*inDeg
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end
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c
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c
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c #####################################################
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C bestimmt Drehmatrix DREH3 fuer Drehung um Omega um Achse (u,v,w)
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function math_RodrigtoR(Omega,U,V,W)
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C
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use prec, ONLY: pReal, pInt
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implicit none
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c
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real(pReal) omega, u, v, w, math_RodrigtoR(3,3)
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real(pReal) betrag, s, c, u2, v2, w2
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c
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BETRAG=SQRT(U**2+V**2+W**2)
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S=SIN(OMEGA)
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C=COS(OMEGA)
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U2=U/BETRAG
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V2=V/BETRAG
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W2=W/BETRAG
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math_RodrigtoR(1,1)=(1-U2**2)*C+U2**2
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math_RodrigtoR(1,2)=U2*V2*(1-C)+W2*S
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math_RodrigtoR(1,3)=U2*W2*(1-C)-V2*S
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math_RodrigtoR(2,1)=U2*V2*(1-C)-W2*S
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math_RodrigtoR(2,2)=(1-V2**2)*C+V2**2
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math_RodrigtoR(2,3)=V2*W2*(1-C)+U2*S
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math_RodrigtoR(3,1)=U2*W2*(1-C)+V2*S
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math_RodrigtoR(3,2)=V2*W2*(1-C)-U2*S
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math_RodrigtoR(3,3)=(1-W2**2)*C+W2**2
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return
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end function
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C
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C Best. Drehmatrix ROTA fuer Euler-Winkel
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C
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function math_EulertoR (P1,P,P2)
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use prec, ONLY: pReal, pInt
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implicit none
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c
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real(pReal) p1, p, p2, math_EulertoR(3,3)
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real(pReal) xp1, xp, xp2, c1, c, c2, s1, s, s2
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C
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XP1=P1*g2r
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XP=P*g2r
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XP2=P2*g2r
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C1=COS(XP1)
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C=COS(XP)
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C2=COS(XP2)
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S1=SIN(XP1)
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S=SIN(XP)
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S2=SIN(XP2)
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math_EulertoR(1,1)=C1*C2-S1*S2*C
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math_EulertoR(1,2)=S1*C2+C1*S2*C
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math_EulertoR(1,3)=S2*S
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math_EulertoR(2,1)=-C1*S2-S1*C2*C
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math_EulertoR(2,2)=-S1*S2+C1*C2*C
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math_EulertoR(2,3)=C2*S
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math_EulertoR(3,1)=S1*S
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math_EulertoR(3,2)=-C1*S
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math_EulertoR(3,3)=C
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return
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end function
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C **************************************************************************
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C subroutine ZUR BERECHNUNG VON ORIENTIERUNGSBEZIEHUNGEN ZWISCHEN
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C ZWEI VORGEGEBENEN ORIENTIERUNGEN
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C
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function math_disorient(P1,P,P2)
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C
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use prec, ONLY: pReal, pInt
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implicit none
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c
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real(pReal) D1(3,3),D2(3,3),P1(2),P(2),P2(2),D1T(3,3),DR(3,3)
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real(pReal) math_disorient, spur, sp, omega, alpha
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integer(pInt) i
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C
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C ERSTELLEN DER BEIDEN DMATRIZEN
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C
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d1 = math_EulertoR(p1(1),P(1),p2(1))
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d2 = math_EulertoR(p1(2),P(2),p2(2))
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C ****************************************************
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C BESTIMMUNG DER INVERSEN MATRIX ZUR ORIENTIERUNG 1:DM
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C ****************************************************
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d1T=transpose(d1)
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C ***********************************************************
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C MATRIZENMULTIPLIKATION DER MATRIZEN D2 UND DM=DR(I,J)
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C ***********************************************************
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dr=matmul(d2,d1T)
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C *******************************
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C BESTIMMUNG DES ROTATIONSWINKELS
|
|
C *******************************
|
|
SPUR=0._pReal
|
|
DO I=1,3
|
|
SPUR=SPUR+DR(I,I)
|
|
enddo
|
|
SP=(SPUR-1._pReal)*0.4999999_pReal
|
|
OMEGA=PI*0.5_pReal-ASIN(SP)
|
|
c Winkel in Grad umrechnen
|
|
ALPHA=OMEGA*inDeg
|
|
math_disorient=abs(alpha)
|
|
return
|
|
end function
|
|
c
|
|
c
|
|
C****************************************************************
|
|
subroutine math_pDecomposition(FE,U,R,ISING)
|
|
C-----FE=RU
|
|
C-----INVERT is the subroutine applied by Marc
|
|
C****************************************************************
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
|
|
integer(pInt) ISING
|
|
real(pReal) FE(3,3),R(3,3),U(3,3),CE(3,3),EW1,EW2,EW3,
|
|
& EB1(3,3),EB2(3,3),EB3(3,3),UI(3,3), det
|
|
ising=0
|
|
ce=matmul(transpose(fe),fe)
|
|
CALL math_spectral1(CE,EW1,EW2,EW3,EB1,EB2,EB3)
|
|
U=DSQRT(EW1)*EB1+DSQRT(EW2)*EB2+DSQRT(EW3)*EB3
|
|
UI=U
|
|
call invert(UI,3,0,0,det,3)
|
|
if (det.EQ.0) then
|
|
ising=1
|
|
return
|
|
endif
|
|
R=matmul(fe,ui)
|
|
return
|
|
end
|
|
c
|
|
c
|
|
C**********************************************************************
|
|
subroutine math_spectral1(M,EW1,EW2,EW3,EB1,EB2,EB3)
|
|
C**** EIGENWERTE UND EIGENWERTBASIS DER SYMMETRISCHEN 3X3 MATRIX M
|
|
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
|
|
real(pReal) M(3,3),EB1(3,3),EB2(3,3),EB3(3,3),EW1,EW2,EW3,
|
|
& HI1M,HI2M,HI3M,TOL,R,S,T,P,Q,RHO,PHI,Y1,Y2,Y3,D1,D2,D3,
|
|
& C1,C2,C3,M1(3,3),M2(3,3),M3(3,3), arg
|
|
TOL=1.e-14_pReal
|
|
CALL math_hi(M,HI1M,HI2M,HI3M)
|
|
R=-HI1M
|
|
S= HI2M
|
|
T=-HI3M
|
|
P=S-R**2.0_pReal/3.0_pReal
|
|
Q=2.0_pReal/27.0_pReal*R**3.0_pReal-R*S/3.0_pReal+T
|
|
EB1=0.0_pReal
|
|
EB2=0.0_pReal
|
|
EB3=0.0_pReal
|
|
IF((ABS(P).LT.TOL).AND.(ABS(Q).LT.TOL))THEN
|
|
C DREI GLEICHE EIGENWERTE
|
|
EW1=HI1M/3.0_pReal
|
|
EW2=EW1
|
|
EW3=EW1
|
|
c this is not really correct, but this way U is calculated
|
|
c correctly in PDECOMPOSITION (correct is EB?=I)
|
|
EB1(1,1)=1.0_pReal
|
|
EB2(2,2)=1.0_pReal
|
|
EB3(3,3)=1.0_pReal
|
|
ELSE
|
|
RHO=SQRT(-3.0_pReal*P**3.0_pReal)/9.0_pReal
|
|
arg=-Q/RHO/2.0_pReal
|
|
if(arg.GT.1) arg=1
|
|
if(arg.LT.-1) arg=-1
|
|
PHI=ACOS(arg)
|
|
Y1=2*RHO**(1.0_pReal/3.0_pReal)*COS(PHI/3.0_pReal)
|
|
Y2=2*RHO**(1.0_pReal/3.0_pReal)*
|
|
1 COS(PHI/3.0_pReal+2.0_pReal/3.0_pReal*PI)
|
|
Y3=2*RHO**(1.0_pReal/3.0_pReal)*
|
|
1 COS(PHI/3.0_pReal+4.0_pReal/3.0_pReal*PI)
|
|
EW1=Y1-R/3.0_pReal
|
|
EW2=Y2-R/3.0_pReal
|
|
EW3=Y3-R/3.0_pReal
|
|
C1=ABS(EW1-EW2)
|
|
C2=ABS(EW2-EW3)
|
|
C3=ABS(EW3-EW1)
|
|
|
|
IF(C1.LT.TOL) THEN
|
|
C EW1 is equal to EW2
|
|
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
|
|
M1=M-EW1*I3
|
|
M2=M-EW2*I3
|
|
EB3=MATMUL(M1,M2)*D3
|
|
EB1=I3-EB3
|
|
c both EB2 and EW2 are set to zero so that they do not
|
|
c contribute to U in PDECOMPOSITION
|
|
EW2=0.0_pReal
|
|
ELSE IF(C2.LT.TOL) THEN
|
|
C EW2 is equal to EW3
|
|
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
|
|
M2=M-EW2*I3
|
|
M3=M-EW3*I3
|
|
EB1=MATMUL(M2,M3)*D1
|
|
EB2=I3-EB1
|
|
c both EB3 and EW3 are set to zero so that they do not
|
|
c contribute to U in PDECOMPOSITION
|
|
EW3=0.0_pReal
|
|
ELSE IF(C3.LT.TOL) THEN
|
|
C EW1 is equal to EW3
|
|
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
|
|
M1=M-EW1*I3
|
|
M3=M-EW3*I3
|
|
EB2=MATMUL(M1,M3)*D2
|
|
EB1=I3-EB2
|
|
c both EB3 and EW3 are set to zero so that they do not
|
|
c contribute to U in PDECOMPOSITION
|
|
EW3=0.0_pReal
|
|
ELSE
|
|
c all three eigenvectors are different
|
|
D1=1.0_pReal/(EW1-EW2)/(EW1-EW3)
|
|
D2=1.0_pReal/(EW2-EW1)/(EW2-EW3)
|
|
D3=1.0_pReal/(EW3-EW1)/(EW3-EW2)
|
|
M1=M-EW1*I3
|
|
M2=M-EW2*I3
|
|
M3=M-EW3*I3
|
|
EB1=MATMUL(M2,M3)*D1
|
|
EB2=MATMUL(M1,M3)*D2
|
|
EB3=MATMUL(M1,M2)*D3
|
|
END IF
|
|
END IF
|
|
RETURN
|
|
END
|
|
c
|
|
c
|
|
C**********************************************************************
|
|
C**** EINHEITSMATRIX MIT dim DIAGONALELEMENTEN
|
|
|
|
function math_identity(dim)
|
|
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
integer(pInt) i,dim
|
|
real(pReal) math_identity(dim,dim)
|
|
|
|
math_identity = 0.0_pReal
|
|
do i=1,dim
|
|
math_identity(i,i) = 1.0_pReal
|
|
end do
|
|
return
|
|
|
|
end function
|
|
c
|
|
c
|
|
C**********************************************************************
|
|
C**** HAUPTINVARIANTEN HI1M, HI2M, HI3M DER 3X3 MATRIX M
|
|
|
|
subroutine math_hi(M,HI1M,HI2M,HI3M)
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
real(pReal) M(3,3),HI1M,HI2M,HI3M
|
|
c
|
|
HI1M = M(1,1)+M(2,2)+M(3,3)
|
|
HI2M = (M(1,1)+M(2,2)+M(3,3))**2/2.0_pReal-M(1,1)**2/2.0_pReal-
|
|
1 M(1,2)*M(2,1)-M(1,3)*M(3,1)-M(2,2)**2/2.0_pReal-M(2,3)*
|
|
2 M(3,2)-M(3,3)**2/2.0_pReal
|
|
HI3M = M(1,1)*M(2,2)*M(3,3)-M(1,1)*M(2,3)*M(3,2)-M(2,1)*M(1,2)*M(3
|
|
&,3)+M(2,1)*M(1,3)*M(3,2)+M(3,1)*M(1,2)*M(2,3)-M(3,1)*M(1,3)*M(2,2)
|
|
return
|
|
end
|
|
c
|
|
|
|
subroutine get_seed ( seed )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! GET_SEED returns a seed for the random number generator.
|
|
c !
|
|
c !
|
|
c ! Discussion:
|
|
c !
|
|
c ! The seed depends on the current time, and ought to be (slightly)
|
|
c ! different every millisecond. Once the seed is obtained, a random
|
|
c ! number generator should be called a few times to further process
|
|
c ! the seed.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 27 June 2000
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Output, integer SEED, a pseudorandom seed value.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt) seed
|
|
real(pReal) temp
|
|
character ( len = 10 ) time
|
|
character ( len = 8 ) today
|
|
integer(pInt) values(8)
|
|
character ( len = 5 ) zone
|
|
c !
|
|
call date_and_time ( today, time, zone, values )
|
|
|
|
temp = 0.0D+00
|
|
|
|
temp = temp + dble ( values(2) - 1 ) / 11.0D+00
|
|
temp = temp + dble ( values(3) - 1 ) / 30.0D+00
|
|
temp = temp + dble ( values(5) ) / 23.0D+00
|
|
temp = temp + dble ( values(6) ) / 59.0D+00
|
|
temp = temp + dble ( values(7) ) / 59.0D+00
|
|
temp = temp + dble ( values(8) ) / 999.0D+00
|
|
temp = temp / 6.0D+00
|
|
|
|
if ( temp <= 0.0D+00 ) then
|
|
temp = 1.0D+00 / 3.0D+00
|
|
else if ( 1.0D+00 <= temp ) then
|
|
temp = 2.0D+00 / 3.0D+00
|
|
end if
|
|
|
|
seed = int ( dble ( huge ( 1 ) ) * temp , pInt)
|
|
c !
|
|
c ! Never use a seed of 0 or maximum integer.
|
|
c !
|
|
if ( seed == 0 ) then
|
|
seed = 1
|
|
end if
|
|
|
|
if ( seed == huge ( 1 ) ) then
|
|
seed = seed - 1
|
|
end if
|
|
|
|
return
|
|
end
|
|
c !
|
|
subroutine halton ( ndim, r )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! HALTON computes the next element in the Halton sequence.
|
|
c !
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 09 March 2003
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, integer NDIM, the dimension of the element.
|
|
c !
|
|
c ! Output, real R(NDIM), the next element of the current Halton
|
|
c ! sequence.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt) ndim
|
|
c !
|
|
integer(pInt) base(ndim)
|
|
real(pReal) r(ndim)
|
|
integer(pInt) seed
|
|
integer(pInt) value(1)
|
|
c !
|
|
call halton_memory ( 'GET', 'SEED', 1, value )
|
|
seed = value(1)
|
|
|
|
call halton_memory ( 'GET', 'BASE', ndim, base )
|
|
|
|
call i_to_halton ( seed, base, ndim, r )
|
|
|
|
value(1) = 1
|
|
call halton_memory ( 'INC', 'SEED', 1, value )
|
|
|
|
return
|
|
end
|
|
c !
|
|
subroutine halton_memory ( action, name, ndim, value )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! HALTON_MEMORY sets or returns quantities associated with the Halton sequence.
|
|
c !
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 09 March 2003
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, character ( len = * ) ACTION, the desired action.
|
|
c ! 'GET' means get the value of a particular quantity.
|
|
c ! 'SET' means set the value of a particular quantity.
|
|
c ! 'INC' means increment the value of a particular quantity.
|
|
c ! (Only the SEED can be incremented.)
|
|
c !
|
|
c ! Input, character ( len = * ) NAME, the name of the quantity.
|
|
c ! 'BASE' means the Halton base or bases.
|
|
c ! 'NDIM' means the spatial dimension.
|
|
c ! 'SEED' means the current Halton seed.
|
|
c !
|
|
c ! Input/output, integer NDIM, the dimension of the quantity.
|
|
c ! If ACTION is 'SET' and NAME is 'BASE', then NDIM is input, and
|
|
c ! is the number of entries in VALUE to be put into BASE.
|
|
c !
|
|
c ! Input/output, integer VALUE(NDIM), contains a value.
|
|
c ! If ACTION is 'SET', then on input, VALUE contains values to be assigned
|
|
c ! to the internal variable.
|
|
c ! If ACTION is 'GET', then on output, VALUE contains the values of
|
|
c ! the specified internal variable.
|
|
c ! If ACTION is 'INC', then on input, VALUE contains the increment to
|
|
c ! be added to the specified internal variable.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
character ( len = * ) action
|
|
integer(pInt), allocatable, save :: base(:)
|
|
logical, save :: first_call = .true.
|
|
integer(pInt) i
|
|
character ( len = * ) name
|
|
integer(pInt) ndim
|
|
integer(pInt), save :: ndim_save = 0
|
|
integer(pInt) prime
|
|
integer(pInt), save :: seed = 1
|
|
integer(pInt) value(*)
|
|
c !
|
|
if ( first_call ) then
|
|
ndim_save = 1
|
|
allocate ( base(ndim_save) )
|
|
base(1) = 2
|
|
first_call = .false.
|
|
end if
|
|
c !
|
|
c ! Set
|
|
c !
|
|
if ( action(1:1) == 'S' .or. action(1:1) == 's' ) then
|
|
|
|
if ( name(1:1) == 'B' .or. name(1:1) == 'b' ) then
|
|
|
|
if ( ndim_save /= ndim ) then
|
|
deallocate ( base )
|
|
ndim_save = ndim
|
|
allocate ( base(ndim_save) )
|
|
end if
|
|
|
|
base(1:ndim) = value(1:ndim)
|
|
|
|
else if ( name(1:1) == 'N' .or. name(1:1) == 'n' ) then
|
|
|
|
if ( ndim_save /= value(1) ) then
|
|
deallocate ( base )
|
|
ndim_save = value(1)
|
|
allocate ( base(ndim_save) )
|
|
do i = 1, ndim_save
|
|
base(i) = prime ( i )
|
|
end do
|
|
else
|
|
ndim_save = value(1)
|
|
end if
|
|
|
|
else if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
|
|
|
|
seed = value(1)
|
|
|
|
end if
|
|
c !
|
|
c ! Get
|
|
c !
|
|
else if ( action(1:1) == 'G' .or. action(1:1) == 'g' ) then
|
|
|
|
if ( name(1:1) == 'B' .or. name(1:1) == 'b' ) then
|
|
|
|
if ( ndim /= ndim_save ) then
|
|
deallocate ( base )
|
|
ndim_save = ndim
|
|
allocate ( base(ndim_save) )
|
|
do i = 1, ndim_save
|
|
base(i) = prime(i)
|
|
end do
|
|
end if
|
|
|
|
value(1:ndim_save) = base(1:ndim_save)
|
|
|
|
else if ( name(1:1) == 'N' .or. name(1:1) == 'n' ) then
|
|
|
|
value(1) = ndim_save
|
|
|
|
else if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
|
|
|
|
value(1) = seed
|
|
|
|
end if
|
|
c !
|
|
c ! Increment
|
|
c !
|
|
else if ( action(1:1) == 'I' .or. action(1:1) == 'i' ) then
|
|
|
|
if ( name(1:1) == 'S' .or. name(1:1) == 's' ) then
|
|
seed = seed + value(1)
|
|
end if
|
|
|
|
end if
|
|
|
|
return
|
|
end
|
|
c !
|
|
subroutine halton_ndim_set ( ndim )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! HALTON_NDIM_SET sets the dimension for a Halton sequence.
|
|
c !
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 26 February 2001
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, integer NDIM, the dimension of the Halton vectors.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt) ndim
|
|
integer(pInt) value(1)
|
|
c !
|
|
value(1) = ndim
|
|
call halton_memory ( 'SET', 'NDIM', 1, value )
|
|
|
|
return
|
|
end
|
|
c !
|
|
subroutine halton_seed_set ( seed )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! HALTON_SEED_SET sets the "seed" for the Halton sequence.
|
|
c !
|
|
c !
|
|
c ! Discussion:
|
|
c !
|
|
c ! Calling HALTON repeatedly returns the elements of the
|
|
c ! Halton sequence in order, starting with element number 1.
|
|
c ! An internal counter, called SEED, keeps track of the next element
|
|
c ! to return. Each time the routine is called, the SEED-th element
|
|
c ! is computed, and then SEED is incremented by 1.
|
|
c !
|
|
c ! To restart the Halton sequence, it is only necessary to reset
|
|
c ! SEED to 1. It might also be desirable to reset SEED to some other value.
|
|
c ! This routine allows the user to specify any value of SEED.
|
|
c !
|
|
c ! The default value of SEED is 1, which restarts the Halton sequence.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 26 February 2001
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, integer SEED, the seed for the Halton sequence.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt), parameter :: ndim = 1
|
|
c !
|
|
integer(pInt) seed
|
|
integer(pInt) value(ndim)
|
|
c !
|
|
value(1) = seed
|
|
call halton_memory ( 'SET', 'SEED', ndim, value )
|
|
|
|
return
|
|
end
|
|
c !
|
|
subroutine i_to_halton ( seed, base, ndim, r )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! I_TO_HALTON computes an element of a Halton sequence.
|
|
c !
|
|
c !
|
|
c ! Reference:
|
|
c !
|
|
c ! J H Halton,
|
|
c ! On the efficiency of certain quasi-random sequences of points
|
|
c ! in evaluating multi-dimensional integrals,
|
|
c ! Numerische Mathematik,
|
|
c ! Volume 2, pages 84-90, 1960.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 26 February 2001
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, integer SEED, the index of the desired element.
|
|
c ! Only the absolute value of SEED is considered. SEED = 0 is allowed,
|
|
c ! and returns R = 0.
|
|
c !
|
|
c ! Input, integer BASE(NDIM), the Halton bases, which should be
|
|
c ! distinct prime numbers. This routine only checks that each base
|
|
c ! is greater than 1.
|
|
c !
|
|
c ! Input, integer NDIM, the dimension of the sequence.
|
|
c !
|
|
c ! Output, real R(NDIM), the SEED-th element of the Halton sequence
|
|
c ! for the given bases.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt) ndim
|
|
c !
|
|
integer(pInt) base(ndim)
|
|
real(pReal) base_inv(ndim)
|
|
integer(pInt) digit(ndim)
|
|
integer(pInt) i
|
|
real(pReal) r(ndim)
|
|
integer(pInt) seed
|
|
integer(pInt) seed2(ndim)
|
|
c !
|
|
seed2(1:ndim) = abs ( seed )
|
|
|
|
r(1:ndim) = 0.0_pReal
|
|
|
|
if ( any ( base(1:ndim) <= 1 ) ) then
|
|
write ( *, '(a)' ) ' '
|
|
write ( *, '(a)' ) 'I_TO_HALTON - Fatal error!'
|
|
write ( *, '(a)' ) ' An input base BASE is <= 1!'
|
|
do i = 1, ndim
|
|
write ( *, '(i6,i6)' ) i, base(i)
|
|
end do
|
|
call flush(6)
|
|
stop
|
|
end if
|
|
|
|
base_inv(1:ndim) = 1.0_pReal / real ( base(1:ndim), pReal )
|
|
|
|
do while ( any ( seed2(1:ndim) /= 0 ) )
|
|
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim) )
|
|
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal )
|
|
1 * base_inv(1:ndim)
|
|
base_inv(1:ndim) = base_inv(1:ndim) /
|
|
1 real ( base(1:ndim), pReal )
|
|
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
|
|
end do
|
|
|
|
return
|
|
end
|
|
c
|
|
function prime ( n )
|
|
c !
|
|
c !*******************************************************************************
|
|
c !
|
|
c !! PRIME returns any of the first PRIME_MAX prime numbers.
|
|
c !
|
|
c !
|
|
c ! Note:
|
|
c !
|
|
c ! PRIME_MAX is 1500, and the largest prime stored is 12553.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 21 June 2002
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! John Burkardt
|
|
c !
|
|
c ! Reference:
|
|
c !
|
|
c ! Milton Abramowitz and Irene Stegun,
|
|
c ! Handbook of Mathematical Functions,
|
|
c ! US Department of Commerce, 1964, pages 870-873.
|
|
c !
|
|
c ! Daniel Zwillinger,
|
|
c ! CRC Standard Mathematical Tables and Formulae,
|
|
c ! 30th Edition,
|
|
c ! CRC Press, 1996, pages 95-98.
|
|
c !
|
|
c ! Parameters:
|
|
c !
|
|
c ! Input, integer N, the index of the desired prime number.
|
|
c ! N = -1 returns PRIME_MAX, the index of the largest prime available.
|
|
c ! N = 0 is legal, returning PRIME = 1.
|
|
c ! It should generally be true that 0 <= N <= PRIME_MAX.
|
|
c !
|
|
c ! Output, integer PRIME, the N-th prime. If N is out of range, PRIME
|
|
c ! is returned as 0.
|
|
c !
|
|
c ! Modified:
|
|
c !
|
|
c ! 29 April 2005
|
|
c !
|
|
c ! Author:
|
|
c !
|
|
c ! Franz Roters
|
|
c !
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c !
|
|
integer(pInt), parameter :: prime_max = 1500
|
|
c !
|
|
integer(pInt), save :: icall = 0
|
|
integer(pInt) n
|
|
integer(pInt), save, dimension ( prime_max ) :: npvec
|
|
integer(pInt) prime
|
|
c !
|
|
if ( icall == 0 ) then
|
|
|
|
icall = 1
|
|
|
|
npvec(1:100) = (/
|
|
1 2, 3, 5, 7, 11, 13, 17, 19, 23, 29,
|
|
2 31, 37, 41, 43, 47, 53, 59, 61, 67, 71,
|
|
3 73, 79, 83, 89, 97, 101, 103, 107, 109, 113,
|
|
4 127, 131, 137, 139, 149, 151, 157, 163, 167, 173,
|
|
5 179, 181, 191, 193, 197, 199, 211, 223, 227, 229,
|
|
6 233, 239, 241, 251, 257, 263, 269, 271, 277, 281,
|
|
7 283, 293, 307, 311, 313, 317, 331, 337, 347, 349,
|
|
8 353, 359, 367, 373, 379, 383, 389, 397, 401, 409,
|
|
9 419, 421, 431, 433, 439, 443, 449, 457, 461, 463,
|
|
1 467, 479, 487, 491, 499, 503, 509, 521, 523, 541 /)
|
|
|
|
npvec(101:200) = (/
|
|
1 547, 557, 563, 569, 571, 577, 587, 593, 599, 601,
|
|
2 607, 613, 617, 619, 631, 641, 643, 647, 653, 659,
|
|
3 661, 673, 677, 683, 691, 701, 709, 719, 727, 733,
|
|
4 739, 743, 751, 757, 761, 769, 773, 787, 797, 809,
|
|
5 811, 821, 823, 827, 829, 839, 853, 857, 859, 863,
|
|
6 877, 881, 883, 887, 907, 911, 919, 929, 937, 941,
|
|
7 947, 953, 967, 971, 977, 983, 991, 997, 1009, 1013,
|
|
8 1019, 1021, 1031, 1033, 1039, 1049, 1051, 1061, 1063, 1069,
|
|
9 1087, 1091, 1093, 1097, 1103, 1109, 1117, 1123, 1129, 1151,
|
|
1 1153, 1163, 1171, 1181, 1187, 1193, 1201, 1213, 1217, 1223 /)
|
|
|
|
npvec(201:300) = (/
|
|
1 1229, 1231, 1237, 1249, 1259, 1277, 1279, 1283, 1289, 1291,
|
|
2 1297, 1301, 1303, 1307, 1319, 1321, 1327, 1361, 1367, 1373,
|
|
3 1381, 1399, 1409, 1423, 1427, 1429, 1433, 1439, 1447, 1451,
|
|
4 1453, 1459, 1471, 1481, 1483, 1487, 1489, 1493, 1499, 1511,
|
|
5 1523, 1531, 1543, 1549, 1553, 1559, 1567, 1571, 1579, 1583,
|
|
6 1597, 1601, 1607, 1609, 1613, 1619, 1621, 1627, 1637, 1657,
|
|
7 1663, 1667, 1669, 1693, 1697, 1699, 1709, 1721, 1723, 1733,
|
|
8 1741, 1747, 1753, 1759, 1777, 1783, 1787, 1789, 1801, 1811,
|
|
9 91823, 1831, 1847, 1861, 1867, 1871, 1873, 1877, 1879, 1889,
|
|
1 1901, 1907, 1913, 1931, 1933, 1949, 1951, 1973, 1979, 1987 /)
|
|
|
|
npvec(301:400) = (/
|
|
1 1993, 1997, 1999, 2003, 2011, 2017, 2027, 2029, 2039, 2053,
|
|
2 2063, 2069, 2081, 2083, 2087, 2089, 2099, 2111, 2113, 2129,
|
|
3 2131, 2137, 2141, 2143, 2153, 2161, 2179, 2203, 2207, 2213,
|
|
4 2221, 2237, 2239, 2243, 2251, 2267, 2269, 2273, 2281, 2287,
|
|
5 2293, 2297, 2309, 2311, 2333, 2339, 2341, 2347, 2351, 2357,
|
|
6 2371, 2377, 2381, 2383, 2389, 2393, 2399, 2411, 2417, 2423,
|
|
7 2437, 2441, 2447, 2459, 2467, 2473, 2477, 2503, 2521, 2531,
|
|
8 2539, 2543, 2549, 2551, 2557, 2579, 2591, 2593, 2609, 2617,
|
|
9 2621, 2633, 2647, 2657, 2659, 2663, 2671, 2677, 2683, 2687,
|
|
1 2689, 2693, 2699, 2707, 2711, 2713, 2719, 2729, 2731, 2741 /)
|
|
|
|
npvec(401:500) = (/
|
|
1 2749, 2753, 2767, 2777, 2789, 2791, 2797, 2801, 2803, 2819,
|
|
2 2833, 2837, 2843, 2851, 2857, 2861, 2879, 2887, 2897, 2903,
|
|
3 2909, 2917, 2927, 2939, 2953, 2957, 2963, 2969, 2971, 2999,
|
|
4 3001, 3011, 3019, 3023, 3037, 3041, 3049, 3061, 3067, 3079,
|
|
5 3083, 3089, 3109, 3119, 3121, 3137, 3163, 3167, 3169, 3181,
|
|
6 3187, 3191, 3203, 3209, 3217, 3221, 3229, 3251, 3253, 3257,
|
|
7 3259, 3271, 3299, 3301, 3307, 3313, 3319, 3323, 3329, 3331,
|
|
8 3343, 3347, 3359, 3361, 3371, 3373, 3389, 3391, 3407, 3413,
|
|
9 3433, 3449, 3457, 3461, 3463, 3467, 3469, 3491, 3499, 3511,
|
|
1 3517, 3527, 3529, 3533, 3539, 3541, 3547, 3557, 3559, 3571 /)
|
|
|
|
npvec(501:600) = (/
|
|
1 3581, 3583, 3593, 3607, 3613, 3617, 3623, 3631, 3637, 3643,
|
|
2 3659, 3671, 3673, 3677, 3691, 3697, 3701, 3709, 3719, 3727,
|
|
3 3733, 3739, 3761, 3767, 3769, 3779, 3793, 3797, 3803, 3821,
|
|
4 3823, 3833, 3847, 3851, 3853, 3863, 3877, 3881, 3889, 3907,
|
|
5 3911, 3917, 3919, 3923, 3929, 3931, 3943, 3947, 3967, 3989,
|
|
6 4001, 4003, 4007, 4013, 4019, 4021, 4027, 4049, 4051, 4057,
|
|
7 4073, 4079, 4091, 4093, 4099, 4111, 4127, 4129, 4133, 4139,
|
|
8 4153, 4157, 4159, 4177, 4201, 4211, 4217, 4219, 4229, 4231,
|
|
9 4241, 4243, 4253, 4259, 4261, 4271, 4273, 4283, 4289, 4297,
|
|
1 4327, 4337, 4339, 4349, 4357, 4363, 4373, 4391, 4397, 4409 /)
|
|
|
|
npvec(601:700) = (/
|
|
1 4421, 4423, 4441, 4447, 4451, 4457, 4463, 4481, 4483, 4493,
|
|
2 4507, 4513, 4517, 4519, 4523, 4547, 4549, 4561, 4567, 4583,
|
|
3 4591, 4597, 4603, 4621, 4637, 4639, 4643, 4649, 4651, 4657,
|
|
4 4663, 4673, 4679, 4691, 4703, 4721, 4723, 4729, 4733, 4751,
|
|
5 4759, 4783, 4787, 4789, 4793, 4799, 4801, 4813, 4817, 4831,
|
|
6 4861, 4871, 4877, 4889, 4903, 4909, 4919, 4931, 4933, 4937,
|
|
7 4943, 4951, 4957, 4967, 4969, 4973, 4987, 4993, 4999, 5003,
|
|
8 5009, 5011, 5021, 5023, 5039, 5051, 5059, 5077, 5081, 5087,
|
|
9 5099, 5101, 5107, 5113, 5119, 5147, 5153, 5167, 5171, 5179,
|
|
1 5189, 5197, 5209, 5227, 5231, 5233, 5237, 5261, 5273, 5279 /)
|
|
|
|
npvec(701:800) = (/
|
|
1 5281, 5297, 5303, 5309, 5323, 5333, 5347, 5351, 5381, 5387,
|
|
2 5393, 5399, 5407, 5413, 5417, 5419, 5431, 5437, 5441, 5443,
|
|
3 5449, 5471, 5477, 5479, 5483, 5501, 5503, 5507, 5519, 5521,
|
|
4 5527, 5531, 5557, 5563, 5569, 5573, 5581, 5591, 5623, 5639,
|
|
5 5641, 5647, 5651, 5653, 5657, 5659, 5669, 5683, 5689, 5693,
|
|
6 5701, 5711, 5717, 5737, 5741, 5743, 5749, 5779, 5783, 5791,
|
|
7 5801, 5807, 5813, 5821, 5827, 5839, 5843, 5849, 5851, 5857,
|
|
8 5861, 5867, 5869, 5879, 5881, 5897, 5903, 5923, 5927, 5939,
|
|
9 5953, 5981, 5987, 6007, 6011, 6029, 6037, 6043, 6047, 6053,
|
|
1 6067, 6073, 6079, 6089, 6091, 6101, 6113, 6121, 6131, 6133 /)
|
|
|
|
npvec(801:900) = (/
|
|
1 6143, 6151, 6163, 6173, 6197, 6199, 6203, 6211, 6217, 6221,
|
|
2 6229, 6247, 6257, 6263, 6269, 6271, 6277, 6287, 6299, 6301,
|
|
3 6311, 6317, 6323, 6329, 6337, 6343, 6353, 6359, 6361, 6367,
|
|
4 6373, 6379, 6389, 6397, 6421, 6427, 6449, 6451, 6469, 6473,
|
|
5 6481, 6491, 6521, 6529, 6547, 6551, 6553, 6563, 6569, 6571,
|
|
6 6577, 6581, 6599, 6607, 6619, 6637, 6653, 6659, 6661, 6673,
|
|
7 6679, 6689, 6691, 6701, 6703, 6709, 6719, 6733, 6737, 6761,
|
|
8 6763, 6779, 6781, 6791, 6793, 6803, 6823, 6827, 6829, 6833,
|
|
9 6841, 6857, 6863, 6869, 6871, 6883, 6899, 6907, 6911, 6917,
|
|
1 6947, 6949, 6959, 6961, 6967, 6971, 6977, 6983, 6991, 6997 /)
|
|
|
|
npvec(901:1000) = (/
|
|
1 7001, 7013, 7019, 7027, 7039, 7043, 7057, 7069, 7079, 7103,
|
|
2 7109, 7121, 7127, 7129, 7151, 7159, 7177, 7187, 7193, 7207,
|
|
3 7211, 7213, 7219, 7229, 7237, 7243, 7247, 7253, 7283, 7297,
|
|
4 7307, 7309, 7321, 7331, 7333, 7349, 7351, 7369, 7393, 7411,
|
|
5 7417, 7433, 7451, 7457, 7459, 7477, 7481, 7487, 7489, 7499,
|
|
6 7507, 7517, 7523, 7529, 7537, 7541, 7547, 7549, 7559, 7561,
|
|
7 7573, 7577, 7583, 7589, 7591, 7603, 7607, 7621, 7639, 7643,
|
|
8 7649, 7669, 7673, 7681, 7687, 7691, 7699, 7703, 7717, 7723,
|
|
9 7727, 7741, 7753, 7757, 7759, 7789, 7793, 7817, 7823, 7829,
|
|
1 7841, 7853, 7867, 7873, 7877, 7879, 7883, 7901, 7907, 7919 /)
|
|
|
|
npvec(1001:1100) = (/
|
|
1 7927, 7933, 7937, 7949, 7951, 7963, 7993, 8009, 8011, 8017,
|
|
2 8039, 8053, 8059, 8069, 8081, 8087, 8089, 8093, 8101, 8111,
|
|
3 8117, 8123, 8147, 8161, 8167, 8171, 8179, 8191, 8209, 8219,
|
|
4 8221, 8231, 8233, 8237, 8243, 8263, 8269, 8273, 8287, 8291,
|
|
5 8293, 8297, 8311, 8317, 8329, 8353, 8363, 8369, 8377, 8387,
|
|
6 8389, 8419, 8423, 8429, 8431, 8443, 8447, 8461, 8467, 8501,
|
|
7 8513, 8521, 8527, 8537, 8539, 8543, 8563, 8573, 8581, 8597,
|
|
8 8599, 8609, 8623, 8627, 8629, 8641, 8647, 8663, 8669, 8677,
|
|
9 8681, 8689, 8693, 8699, 8707, 8713, 8719, 8731, 8737, 8741,
|
|
1 8747, 8753, 8761, 8779, 8783, 8803, 8807, 8819, 8821, 8831 /)
|
|
|
|
npvec(1101:1200) = (/
|
|
1 8837, 8839, 8849, 8861, 8863, 8867, 8887, 8893, 8923, 8929,
|
|
2 8933, 8941, 8951, 8963, 8969, 8971, 8999, 9001, 9007, 9011,
|
|
3 9013, 9029, 9041, 9043, 9049, 9059, 9067, 9091, 9103, 9109,
|
|
4 9127, 9133, 9137, 9151, 9157, 9161, 9173, 9181, 9187, 9199,
|
|
5 9203, 9209, 9221, 9227, 9239, 9241, 9257, 9277, 9281, 9283,
|
|
6 9293, 9311, 9319, 9323, 9337, 9341, 9343, 9349, 9371, 9377,
|
|
7 9391, 9397, 9403, 9413, 9419, 9421, 9431, 9433, 9437, 9439,
|
|
8 9461, 9463, 9467, 9473, 9479, 9491, 9497, 9511, 9521, 9533,
|
|
9 9539, 9547, 9551, 9587, 9601, 9613, 9619, 9623, 9629, 9631,
|
|
1 9643, 9649, 9661, 9677, 9679, 9689, 9697, 9719, 9721, 9733 /)
|
|
|
|
npvec(1201:1300) = (/
|
|
1 9739, 9743, 9749, 9767, 9769, 9781, 9787, 9791, 9803, 9811,
|
|
2 9817, 9829, 9833, 9839, 9851, 9857, 9859, 9871, 9883, 9887,
|
|
3 9901, 9907, 9923, 9929, 9931, 9941, 9949, 9967, 9973,10007,
|
|
4 10009,10037,10039,10061,10067,10069,10079,10091,10093,10099,
|
|
5 10103,10111,10133,10139,10141,10151,10159,10163,10169,10177,
|
|
6 10181,10193,10211,10223,10243,10247,10253,10259,10267,10271,
|
|
7 10273,10289,10301,10303,10313,10321,10331,10333,10337,10343,
|
|
8 10357,10369,10391,10399,10427,10429,10433,10453,10457,10459,
|
|
9 10463,10477,10487,10499,10501,10513,10529,10531,10559,10567,
|
|
1 10589,10597,10601,10607,10613,10627,10631,10639,10651,10657 /)
|
|
|
|
npvec(1301:1400) = (/
|
|
1 10663,10667,10687,10691,10709,10711,10723,10729,10733,10739,
|
|
2 10753,10771,10781,10789,10799,10831,10837,10847,10853,10859,
|
|
3 10861,10867,10883,10889,10891,10903,10909,19037,10939,10949,
|
|
4 10957,10973,10979,10987,10993,11003,11027,11047,11057,11059,
|
|
5 11069,11071,11083,11087,11093,11113,11117,11119,11131,11149,
|
|
6 11159,11161,11171,11173,11177,11197,11213,11239,11243,11251,
|
|
7 11257,11261,11273,11279,11287,11299,11311,11317,11321,11329,
|
|
8 11351,11353,11369,11383,11393,11399,11411,11423,11437,11443,
|
|
9 11447,11467,11471,11483,11489,11491,11497,11503,11519,11527,
|
|
1 11549,11551,11579,11587,11593,11597,11617,11621,11633,11657 /)
|
|
|
|
npvec(1401:1500) = (/
|
|
1 11677,11681,11689,11699,11701,11717,11719,11731,11743,11777,
|
|
2 11779,11783,11789,11801,11807,11813,11821,11827,11831,11833,
|
|
3 11839,11863,11867,11887,11897,11903,11909,11923,11927,11933,
|
|
4 11939,11941,11953,11959,11969,11971,11981,11987,12007,12011,
|
|
5 12037,12041,12043,12049,12071,12073,12097,12101,12107,12109,
|
|
6 12113,12119,12143,12149,12157,12161,12163,12197,12203,12211,
|
|
7 12227,12239,12241,12251,12253,12263,12269,12277,12281,12289,
|
|
8 12301,12323,12329,12343,12347,12373,12377,12379,12391,12401,
|
|
9 12409,12413,12421,12433,12437,12451,12457,12473,12479,12487,
|
|
1 12491,12497,12503,12511,12517,12527,12539,12541,12547,12553 /)
|
|
|
|
end if
|
|
|
|
if ( n == -1 ) then
|
|
prime = prime_max
|
|
else if ( n == 0 ) then
|
|
prime = 1
|
|
else if ( n <= prime_max ) then
|
|
prime = npvec(n)
|
|
else
|
|
prime = 0
|
|
write ( *, '(a)' ) ' '
|
|
write ( *, '(a)' ) 'PRIME - Fatal error!'
|
|
write ( *, '(a,i6)' ) ' Illegal prime index N = ', n
|
|
write ( *, '(a,i6)' ) ' N must be between 0 and PRIME_MAX =',
|
|
1 prime_max
|
|
call flush(6)
|
|
stop
|
|
end if
|
|
|
|
return
|
|
end
|
|
|
|
|
|
|
|
c********************************************************************
|
|
c This routine generates a random orientation
|
|
c********************************************************************
|
|
subroutine math_random_ori (phi1, PHI, phi2, scatter)
|
|
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
real(pReal) phi1, PHI, phi2, scatter, x, y, z
|
|
c
|
|
call random_number(x)
|
|
call random_number(y)
|
|
call random_number(z)
|
|
phi1=x*360.0_pReal
|
|
PHI=acos(y)*inDeg
|
|
phi2=z*360.0_pReal
|
|
scatter=0.0_pReal
|
|
return
|
|
end
|
|
c
|
|
c
|
|
subroutine math_halton_ori (phi1, PHI, phi2, scatter)
|
|
c********************************************************************
|
|
c This routine generates a random orientation using Halton series
|
|
c********************************************************************
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
real(pReal) phi1, PHI, phi2, scatter, r(3)
|
|
c
|
|
call halton(3,r)
|
|
phi1=r(1)*360.0_pReal
|
|
PHI=acos(r(2))*inDeg
|
|
phi2=r(3)*360.0_pReal
|
|
scatter=0.0_pReal
|
|
return
|
|
end
|
|
c
|
|
c
|
|
c********************************************************************
|
|
c This routine applies gaussian scatter to the texture components
|
|
c********************************************************************
|
|
subroutine math_disturbOri (phi1, PHI, phi2, scatter)
|
|
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
real(pReal) phi1, PHI, phi2, scatter
|
|
real(pReal) orot(3,3), srot(3,3), p1(2), P(2), p2(2), rot(3,3)
|
|
real(pReal) gscatter, scale, x, y, s, z, arg, angle, rand,
|
|
1 gauss
|
|
c
|
|
p1(1)=0
|
|
P(1)=0
|
|
p2(1)=0
|
|
|
|
c Helming uses different distribution with Bessel functions
|
|
c therefore the gauss scatter width has to be scaled differently
|
|
gscatter=0.95*scatter
|
|
scale=cos(gscatter*inRad)
|
|
c
|
|
100 call random_number(x)
|
|
call random_number(y)
|
|
call random_number(s)
|
|
call random_number(z)
|
|
x=x-0.5
|
|
s=s-0.5
|
|
z=z-0.5
|
|
p1(2)=x*gscatter*2.0_pReal
|
|
p2(2)=z*gscatter*2.0_pReal
|
|
arg=scale+y*(1.0-scale)
|
|
P(2)=sign(1.0_pReal,s)*acos(arg)*inDeg
|
|
angle = math_disorient(p1,P,p2)
|
|
call random_number(rand)
|
|
gauss=exp(-1.0*(angle/gscatter)**2)
|
|
if(gauss.LT.rand) then
|
|
goto 100
|
|
end if
|
|
c calculate rotation matrix for rotation angles
|
|
srot = math_EulertoR(p1(2),p(2),p2(2))
|
|
c calculate rotation matrix for original euler angles
|
|
orot = math_EulertoR(phi1,PHI,phi2)
|
|
c rotate originial orientation matrix
|
|
rot=matmul(srot,orot)
|
|
c calculate Euler angles for new rotation matrix
|
|
call math_RtoEuler(rot, phi1,PHI,phi2)
|
|
return
|
|
end
|
|
c
|
|
c
|
|
c********************************************************************
|
|
c This routine computes one orientation of a fiber component
|
|
c********************************************************************
|
|
subroutine math_fiber(alpha1, alpha2,beta1,beta2,scatter,
|
|
1 phi1,PHI,phi2)
|
|
|
|
use prec, ONLY: pReal, pInt
|
|
implicit none
|
|
c
|
|
real(pReal) alpha1, alpha2,beta1,beta2,scatter, phi1, PHI, phi2
|
|
real(pReal) orot(3,3), srot(3,3), ac(3), as(3),
|
|
1 ori(3,3), rrot(3,3)
|
|
real(pReal) a1r, a2r, b1r, b2r, angle, axis_u, axis_v, axis_w,
|
|
1 rand, x, y, z, gscatter, scale, gauss
|
|
integer(pInt) i
|
|
c
|
|
c convert angles to radians
|
|
a1r=alpha1*inRad
|
|
a2r=alpha2*inRad
|
|
b1r=beta1*inRad
|
|
b2r=beta2*inRad
|
|
c calculate fiber axis in crystal coordinate system
|
|
ac(1)=sin(a1r)*cos(a2r)
|
|
ac(2)=sin(a1r)*sin(a2r)
|
|
ac(3)=cos(a1r)
|
|
c calculate fiber axis in sample coordinate system
|
|
as(1)=sin(b1r)*cos(b2r)
|
|
as(2)=sin(b1r)*sin(b2r)
|
|
as(3)=cos(b1r)
|
|
c calculate rotation angle between sample and crystal system
|
|
angle=-acos(dot_product(ac, as))
|
|
if(angle.NE.0.0) then
|
|
c calculate rotation axis between sample and crystal system
|
|
axis_u=ac(2)*as(3)-ac(3)*as(2)
|
|
axis_v=ac(3)*as(1)-ac(1)*as(3)
|
|
axis_w=ac(1)*as(2)-ac(2)*as(1)
|
|
c calculate rotation matrix
|
|
orot = math_RodrigtoR(angle, axis_u, axis_v, axis_w)
|
|
else
|
|
orot = I3
|
|
end if
|
|
|
|
c calculate random rotation angle about fiber axis
|
|
call random_number(rand)
|
|
angle=rand*2.0_pReal*pi
|
|
rrot = math_RodrigtoR(angle, as(1), as(2), as(3))
|
|
c find random axis pependicular to fiber axis
|
|
call random_number(x)
|
|
call random_number(y)
|
|
if (as(3).NE.0) then
|
|
z=-(x*as(1)+y*as(2))/as(3)
|
|
else if(as(2).NE.0) then
|
|
z=y
|
|
y=-(x*as(1)+z*as(3))/as(2)
|
|
else if(as(1).NE.0) then
|
|
z=x
|
|
x=-(y*as(2)+z*as(3))/as(1)
|
|
end if
|
|
c Helming uses different distribution with Bessel functions
|
|
c therefore the gauss scatter width has to be scalled differently
|
|
gscatter=0.95*scatter
|
|
scale=cos(2*gscatter*inRad)
|
|
c calculate rotation angle
|
|
100 call random_number(rand)
|
|
angle=sign(1.0_pReal,rand)*acos(abs(rand)*scale)*inDeg
|
|
call random_number(rand)
|
|
gauss=exp(-1.0*(angle/gscatter)**2)
|
|
if(gauss.LT.rand) then
|
|
goto 100
|
|
end if
|
|
c convert angle to radians
|
|
angle=angle*inRad
|
|
srot = math_RodrigtoR(angle, x, y, z)
|
|
ori=matmul(srot, matmul(rrot, orot))
|
|
c calculate Euler angles for new rotation matrix
|
|
call math_RtoEuler(ori, phi1,PHI,phi2)
|
|
c
|
|
return
|
|
end
|
|
|
|
|
|
END MODULE math
|
|
|