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DAMASK_EICMD
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disorientation with symmetryType == 0 returns plain misorientation 

complain about unknown symmetryType
This commit is contained in:
Philip Eisenlohr 2010-05-04 12:54:13 +00:00
parent adaeb0e1ef
commit cecffffe2b
2 changed files with 30 additions and 16 deletions
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2
code/IO.f90
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@ -1075,6 +1075,8 @@ endfunction
msg = 'This material can only be used with elements with three direct stress components' msg = 'This material can only be used with elements with three direct stress components'
case (500) case (500)
msg = 'Unknown lattice type specified' msg = 'Unknown lattice type specified'
case (550)
msg = 'Unknown symmetry type specified'
case (600) case (600)
msg = 'Convergence not reached' msg = 'Convergence not reached'
case (610) case (610)

44
code/math.f90
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@ -122,6 +122,8 @@ real(pReal), dimension(4,36), parameter :: math_symOperations = &
use numerics, only: fixedSeed use numerics, only: fixedSeed
implicit none implicit none
real(pReal), dimension(3,3) :: R
real(pReal), dimension(4) :: q
integer (pInt), dimension(1) :: randInit integer (pInt), dimension(1) :: randInit
integer (pInt) seed integer (pInt) seed
@ -142,7 +144,7 @@ real(pReal), dimension(4,36), parameter :: math_symOperations = &
call halton_seed_set(seed) call halton_seed_set(seed)
call halton_ndim_set(3) call halton_ndim_set(3)
ENDSUBROUTINE ENDSUBROUTINE
@ -1512,6 +1514,8 @@ pure function math_QuaternionInSST(Q, symmetryType)
endfunction endfunction
!************************************************************************** !**************************************************************************
! calculates the disorientation for 2 orientations Q1 and Q2 (needs quaternions) ! calculates the disorientation for 2 orientations Q1 and Q2 (needs quaternions)
!************************************************************************** !**************************************************************************
@ -1536,21 +1540,29 @@ pure function math_QuaternionDisorientation(Q1, Q2, symmetryType)
dQ = math_qMul(math_qConj(Q1),Q2) dQ = math_qMul(math_qConj(Q1),Q2)
math_QuaternionDisorientation = dQ math_QuaternionDisorientation = dQ
if (symmetryType > 0_pInt .and. symmetryType <= 2_pInt) then select case (symmetryType)
s = sum(math_NsymOperations(1:symmetryType-1)) case (0)
do i = 1,2 if math_QuaternionMisorientation(1) < 0.0_pReal &
dQ = math_qConj(dQ) ! switch order of "from -- to" math_QuaternionMisorientation = -math_QuaternionMisorientation ! keep omega within 0 to 180 deg
do j = 1,math_NsymOperations(symmetryType) ! run through first crystals symmetries
dQsymA = math_qMul(math_symOperations(:,s+j),dQ) ! apply sym case (1,2)
do k = 1,math_NsymOperations(symmetryType) ! run through 2nd crystals symmetries s = sum(math_NsymOperations(1:symmetryType-1))
mis = math_qMul(dQsymA,math_symOperations(:,s+k)) ! apply sym do i = 1,2
if (mis(1) < 0) & ! want positive angle dQ = math_qConj(dQ) ! switch order of "from -- to"
mis = -mis do j = 1,math_NsymOperations(symmetryType) ! run through first crystals symmetries
if (mis(1)-math_QuaternionDisorientation(1) > -1e-8_pReal .and. & dQsymA = math_qMul(math_symOperations(:,s+j),dQ) ! apply sym
math_QuaternionInSST(mis,symmetryType)) & do k = 1,math_NsymOperations(symmetryType) ! run through 2nd crystals symmetries
math_QuaternionDisorientation = mis ! found better one mis = math_qMul(dQsymA,math_symOperations(:,s+k)) ! apply sym
enddo; enddo; enddo if (mis(1) < 0) & ! want positive angle
endif mis = -mis
if (mis(1)-math_QuaternionDisorientation(1) > -1e-8_pReal .and. &
math_QuaternionInSST(mis,symmetryType)) &
math_QuaternionDisorientation = mis ! found better one
enddo; enddo; enddo
case default
IO_error(550,symmetryType) ! complain
end select
endfunction endfunction