nothing to select anymore
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@ -902,7 +902,6 @@ subroutine crystallite_results(group,ph)
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integer, intent(in) :: ph
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integer, intent(in) :: ph
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integer :: ou
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integer :: ou
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real(pReal), allocatable, dimension(:,:) :: selected_rotations
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call results_closeGroup(results_addGroup(group//'/mechanical'))
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call results_closeGroup(results_addGroup(group//'/mechanical'))
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@ -935,8 +934,7 @@ subroutine crystallite_results(group,ph)
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call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
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call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
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'second Piola-Kirchhoff stress','Pa')
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'second Piola-Kirchhoff stress','Pa')
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case('O')
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case('O')
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selected_rotations = select_rotations(phase_O(ph)%data)
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call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical',output_constituent(ph)%label(ou),&
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call results_writeDataset(selected_rotations,group//'/mechanical',output_constituent(ph)%label(ou),&
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'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
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'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
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call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_constituent(ph)%label(ou))
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call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_constituent(ph)%label(ou))
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if (any(phase_lattice(ph) == ['hP', 'tI'])) &
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if (any(phase_lattice(ph) == ['hP', 'tI'])) &
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@ -948,19 +946,21 @@ subroutine crystallite_results(group,ph)
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contains
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contains
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Convert orientation for output: ToDo: implement in HDF5/results
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!> @brief Convert orientation array to quaternion array
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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function select_rotations(dataset)
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function to_quaternion(dataset)
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type(rotation), dimension(:), intent(in) :: dataset
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type(rotation), dimension(:), intent(in) :: dataset
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real(pReal), dimension(4,size(dataset,1)) :: select_rotations
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real(pReal), dimension(4,size(dataset,1)) :: to_quaternion
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integer :: en
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do en = 1, size(dataset,1)
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integer :: i
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select_rotations(:,en) = dataset(en)%asQuaternion()
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do i = 1, size(dataset,1)
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to_quaternion(:,i) = dataset(i)%asQuaternion()
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enddo
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enddo
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end function select_rotations
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end function to_quaternion
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end subroutine crystallite_results
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end subroutine crystallite_results
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