rotation class has consistent set of conversions

crytallite_oriention0 was essentially a copy of material_EulerAngles

src/crystallite.f90

@@ -47,8 +47,7 @@ module crystallite
     crystallite_subFrac, &                                                                          !< already calculated fraction of increment
     crystallite_subStep                                                                             !< size of next integration step
   type(rotation),            dimension(:,:,:),        allocatable :: &
-    crystallite_orientation, &                                                                      !< orientation 
+    crystallite_orientation                                                                         !< current orientation 
-    crystallite_orientation0                                                                        !< initial orientation
   real(pReal),               dimension(:,:,:,:,:),    allocatable, public, protected :: &
     crystallite_Fe, &                                                                               !< current "elastic" def grad (end of converged time step)
     crystallite_P                                                                                   !< 1st Piola-Kirchhoff stress per grain
@@ -211,7 +210,6 @@ subroutine crystallite_init
   allocate(crystallite_subFrac(cMax,iMax,eMax),               source=0.0_pReal)
   allocate(crystallite_subStep(cMax,iMax,eMax),               source=0.0_pReal)
   allocate(crystallite_orientation(cMax,iMax,eMax))
-  allocate(crystallite_orientation0(cMax,iMax,eMax))
   allocate(crystallite_localPlasticity(cMax,iMax,eMax),       source=.true.)
   allocate(crystallite_requested(cMax,iMax,eMax),             source=.false.)
   allocate(crystallite_todo(cMax,iMax,eMax),                  source=.false.)
@@ -382,7 +380,7 @@ subroutine crystallite_init
   do e = FEsolving_execElem(1),FEsolving_execElem(2)
     myNcomponents = homogenization_Ngrains(material_homogenizationAt(e))
     do i = FEsolving_execIP(1,e), FEsolving_execIP(2,e); do c = 1, myNcomponents
-      crystallite_Fp0(1:3,1:3,c,i,e) = math_EulerToR(material_EulerAngles(1:3,c,i,e))               ! plastic def gradient reflects init orientation
+      crystallite_Fp0(1:3,1:3,c,i,e) = material_orientation0(c,i,e)%asRotationMatrix()              ! plastic def gradient reflects init orientation
       crystallite_Fi0(1:3,1:3,c,i,e) = constitutive_initialFi(c,i,e)
       crystallite_F0(1:3,1:3,c,i,e)  = math_I3
       crystallite_localPlasticity(c,i,e) = phase_localPlasticity(material_phaseAt(c,e))
@@ -403,7 +401,6 @@ subroutine crystallite_init
   crystallite_partionedF   = crystallite_F0
  
   call crystallite_orientations()
-  crystallite_orientation0 = crystallite_orientation                                                ! store initial orientations for calculation of grain rotations
  
   !$OMP PARALLEL DO
   do e = FEsolving_execElem(1),FEsolving_execElem(2)
@@ -860,7 +857,7 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
     ip, &
     ipc
  
-  T = matmul(math_EulerToR(material_EulerAngles(1:3,ipc,ip,el)), &
+  T = matmul(material_orientation0(ipc,ip,el)%asRotationMatrix(), &                                 ! ToDo: initial orientation correct?
              transpose(math_inv33(crystallite_subF(1:3,1:3,ipc,ip,el))))
   crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
 
@@ -909,7 +906,7 @@ function crystallite_postResults(ipc, ip, el)
         crystallite_postResults(c+1:c+mySize) = crystallite_orientation(ipc,ip,el)%asQuaternion()
 
       case (grainrotation_ID)
-        rot = crystallite_orientation0(ipc,ip,el)%misorientation(crystallite_orientation(ipc,ip,el))
+        rot = material_orientation0(ipc,ip,el)%misorientation(crystallite_orientation(ipc,ip,el))
         mySize = 4
         crystallite_postResults(c+1:c+mySize) = rot%asAxisAnglePair()
         crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4)                          ! angle in degree

src/material.f90

@@ -152,8 +152,8 @@ module material
   integer, dimension(:,:,:), allocatable, public, protected :: &
     material_texture                                                                                !< texture (index) of each grain,IP,element. Only used by plastic_nonlocal
  
-  real(pReal), dimension(:,:,:,:), allocatable, public, protected :: &
+  type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
-    material_EulerAngles                                                                            !< initial orientation of each grain,IP,element
+    material_orientation0                                                                           !< initial orientation of each grain,IP,element
  
   logical, dimension(:), allocatable, public, protected :: &
     microstructure_active, &
@@ -315,7 +315,7 @@ subroutine material_init
 ! new mappings
   allocate(material_phaseAt(homogenization_maxNgrains,discretization_nElem),                   source=0)
   allocate(material_texture(homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0)   !this is only needed by plasticity nonlocal
-  allocate(material_EulerAngles(3,homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0.0_pReal)
+  allocate(material_orientation0(homogenization_maxNgrains,discretization_nIP,discretization_nElem))
  
   do e = 1, discretization_nElem
      do i = 1, discretization_nIP
@@ -323,7 +323,7 @@ subroutine material_init
        do c = 1, homogenization_Ngrains(discretization_homogenizationAt(e))
          material_phaseAt(c,e)        = microstructure_phase(c,myMicro)
          material_texture(c,i,e)      = microstructure_texture(c,myMicro)
-         material_EulerAngles(1:3,c,i,e) = texture_Eulers(material_texture(c,i,e))%asEulerAngles()  ! this is a copy of crystallite_orientation0
+         material_orientation0(c,i,e) = texture_Eulers(material_texture(c,i,e))                     ! this is a copy of crystallite_orientation0
        enddo
      enddo
    enddo