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DAMASK_EICMD
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documented and simplified

This commit is contained in:
Martin Diehl 2016-09-21 06:28:24 +02:00
parent d0ea692cf2
commit ff13925afa
2 changed files with 14 additions and 24 deletions
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2
code/IO.f90
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@ -1568,8 +1568,6 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
msg = 'math_check: R*v == q*v failed' msg = 'math_check: R*v == q*v failed'
case (410_pInt) case (410_pInt)
msg = 'eigenvalues computation error' msg = 'eigenvalues computation error'
case (450_pInt)
msg = 'unknown symmetry type specified'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! homogenization errors ! homogenization errors

36
code/math.f90
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@ -1450,7 +1450,7 @@ pure function math_EulerToQ(eulerangles)
cos(halfangles(1)-halfangles(3)) * s, & cos(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)-halfangles(3)) * s, & sin(halfangles(1)-halfangles(3)) * s, &
sin(halfangles(1)+halfangles(3)) * c ] sin(halfangles(1)+halfangles(3)) * c ]
math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation math_EulerToQ = math_qConj(math_EulerToQ) ! convert to passive rotation
end function math_EulerToQ end function math_EulerToQ
@ -1508,7 +1508,7 @@ pure function math_EulerAxisAngleToR(axis,omega)
real(pReal), dimension(3), intent(in) :: axis real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega real(pReal), intent(in) :: omega
math_EulerAxisAngleToR = transpose(math_axisAngleToR(axis,omega)) ! convert to passive rotation math_EulerAxisAngleToR = transpose(math_axisAngleToR(axis,omega)) ! convert to passive rotation
end function math_EulerAxisAngleToR end function math_EulerAxisAngleToR
@ -1527,7 +1527,7 @@ pure function math_EulerAxisAngleToQ(axis,omega)
real(pReal), dimension(3), intent(in) :: axis real(pReal), dimension(3), intent(in) :: axis
real(pReal), intent(in) :: omega real(pReal), intent(in) :: omega
math_EulerAxisAngleToQ = math_qConj(math_axisAngleToQ(axis,omega)) ! convert to passive rotation math_EulerAxisAngleToQ = math_qConj(math_axisAngleToQ(axis,omega)) ! convert to passive rotation
end function math_EulerAxisAngleToQ end function math_EulerAxisAngleToQ
@ -1550,7 +1550,7 @@ pure function math_axisAngleToQ(axis,omega)
norm = sqrt(math_mul3x3(axis,axis)) norm = sqrt(math_mul3x3(axis,axis))
rotation: if (norm > 1.0e-8_pReal) then rotation: if (norm > 1.0e-8_pReal) then
axisNrm = axis/norm ! normalize axis to be sure axisNrm = axis/norm ! normalize axis to be sure
math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)] math_axisAngleToQ = [cos(0.5_pReal*omega), sin(0.5_pReal*omega) * axisNrm(1:3)]
else rotation else rotation
math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal] math_axisAngleToQ = [1.0_pReal,0.0_pReal,0.0_pReal,0.0_pReal]
@ -1864,37 +1864,29 @@ end function math_sampleGaussVar
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief symmetrically equivalent Euler angles for given sample symmetry 1:triclinic, 2:monoclinic, 4:orthotropic !> @brief symmetrically equivalent Euler angles for given sample symmetry
!> @detail 1 (equivalent to != 2 and !=4):triclinic, 2:monoclinic, 4:orthotropic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_symmetricEulers(sym,Euler) pure function math_symmetricEulers(sym,Euler)
implicit none implicit none
integer(pInt), intent(in) :: sym integer(pInt), intent(in) :: sym !< symmetry Class
real(pReal), dimension(3), intent(in) :: Euler real(pReal), dimension(3), intent(in) :: Euler
real(pReal), dimension(3,3) :: math_symmetricEulers real(pReal), dimension(3,3) :: math_symmetricEulers
integer(pInt) :: i,j
math_symmetricEulers(1,1) = PI+Euler(1) math_symmetricEulers = transpose(reshape([PI+Euler(1), PI-Euler(1), 2.0_pReal*PI-Euler(1), &
math_symmetricEulers(2,1) = Euler(2) Euler(2), PI-Euler(2), PI -Euler(2), &
math_symmetricEulers(3,1) = Euler(3) Euler(3), PI+Euler(3), PI +Euler(3)],[3,3])) ! transpose is needed to have symbolic notation instead of column-major
math_symmetricEulers(1,2) = PI-Euler(1) math_symmetricEulers = modulo(math_symmetricEulers,2.0_pReal*pi)
math_symmetricEulers(2,2) = PI-Euler(2)
math_symmetricEulers(3,2) = PI+Euler(3)
math_symmetricEulers(1,3) = 2.0_pReal*PI-Euler(1)
math_symmetricEulers(2,3) = PI-Euler(2)
math_symmetricEulers(3,3) = PI+Euler(3)
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) math_symmetricEulers(j,i) = modulo(math_symmetricEulers(j,i),2.0_pReal*pi)
select case (sym) select case (sym)
case (4_pInt) ! all done case (4_pInt) ! orthotropic: all done
case (2_pInt) ! return only first case (2_pInt) ! monoclinic: return only first
math_symmetricEulers(1:3,2:3) = 0.0_pReal math_symmetricEulers(1:3,2:3) = 0.0_pReal
case default ! return blank case default ! triclinic: return blank
math_symmetricEulers = 0.0_pReal math_symmetricEulers = 0.0_pReal
end select end select