get labels of slip and twin systems
this info is for HDF5 output
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Martin Diehl
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1d51443607
commit
b502300ffc
145
src/lattice.f90
145
src/lattice.f90
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@ -482,7 +482,8 @@ module lattice
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lattice_forestProjection_screw, &
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lattice_slip_normal, &
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lattice_slip_direction, &
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lattice_slip_transverse
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lattice_slip_transverse, &
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lattice_labels_slip
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contains
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!--------------------------------------------------------------------------------------------------
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@ -1913,8 +1914,93 @@ function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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enddo; enddo
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end function slipProjection_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Labels for slip systems
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!> details only active slip systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_labels_slip(Nslip,structure) result(labels)
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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character(len=:), dimension(:), allocatable :: labels
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real(pReal), dimension(:,:), allocatable :: slipSystems
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integer, dimension(:), allocatable :: NslipMax
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure))
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select case(structure(1:3))
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case('fcc')
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NslipMax = LATTICE_FCC_NSLIPSYSTEM
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slipSystems = LATTICE_FCC_SYSTEMSLIP
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case('bcc')
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NslipMax = LATTICE_BCC_NSLIPSYSTEM
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slipSystems = LATTICE_BCC_SYSTEMSLIP
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case('hex')
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NslipMax = LATTICE_HEX_NSLIPSYSTEM
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slipSystems = LATTICE_HEX_SYSTEMSLIP
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case('bct')
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NslipMax = LATTICE_BCT_NSLIPSYSTEM
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slipSystems = LATTICE_BCT_SYSTEMSLIP
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case default
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call IO_error(137,ext_msg='lattice_labels_slip: '//trim(structure))
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end select
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if (any(NslipMax(1:size(Nslip)) - Nslip < 0)) &
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call IO_error(145,ext_msg='Nslip '//trim(structure))
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if (any(Nslip < 0)) &
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call IO_error(144,ext_msg='Nslip '//trim(structure))
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labels = getLabels(Nslip,NslipMax,slipSystems,structure)
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end function lattice_labels_slip
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!--------------------------------------------------------------------------------------------------
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!> @brief Labels for twin systems
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!> details only active twin systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_labels_twin(Ntwin,structure) result(labels)
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integer, dimension(:), intent(in) :: Ntwin !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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character(len=:), dimension(:), allocatable :: labels
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real(pReal), dimension(:,:), allocatable :: twinSystems
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integer, dimension(:), allocatable :: NtwinMax
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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select case(structure(1:3))
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case('fcc')
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NtwinMax = LATTICE_FCC_NTWINSYSTEM
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twinSystems = LATTICE_FCC_SYSTEMTWIN
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case('bcc')
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NtwinMax = LATTICE_BCC_NTWINSYSTEM
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twinSystems = LATTICE_BCC_SYSTEMTWIN
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case('hex')
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NtwinMax = LATTICE_HEX_NTWINSYSTEM
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twinSystems = LATTICE_HEX_SYSTEMTWIN
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case default
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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end select
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if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
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call IO_error(145,ext_msg='Ntwin '//trim(structure))
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if (any(Ntwin < 0)) &
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call IO_error(144,ext_msg='Ntwin '//trim(structure))
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labels = getLabels(Ntwin,NtwinMax,twinSystems,structure)
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end function lattice_labels_twin
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the slip direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for screw dislocations
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@ -2220,5 +2306,62 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
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endif
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end subroutine buildTransformationSystem
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!--------------------------------------------------------------------------------------------------
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!> @brief select active systems as strings
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!--------------------------------------------------------------------------------------------------
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function getlabels(active,potential,system,structure) result(labels)
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integer, dimension(:), intent(in) :: &
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active, &
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potential
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real(pReal), dimension(:,:), intent(in) :: &
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system
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character(len=*), intent(in) :: structure !< lattice structure
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character(len=:), dimension(:), allocatable :: labels
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character(len=:), allocatable :: label
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integer :: i,j
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integer :: &
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a, & !< index of active system
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p, & !< index in complete system matrix
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f, & !< index of my family
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s !< index of my system in current family
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i = 2*size(system,1) + (size(system,1) - 2) + 4 ! 2 letters per index + spaces + brackets
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allocate(character(len=i) :: labels(sum(active)), label)
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a = 0
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activeFamilies: do f = 1,size(active,1)
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activeSystems: do s = 1,active(f)
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a = a + 1
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p = sum(potential(1:f-1))+s
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i = 1
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label(i:i) = merge('[','<',structure(1:3) /= 'bct')
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direction: do j = 1, size(system,1)/2
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write(label(i+1:i+2),"(I2.1)") int(system(j,p))
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label(i+3:i+3) = ' '
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i = i + 3
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enddo direction
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label(i:i) = ']'
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i = i +1
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label(i:i) = merge('(','{',structure(1:3) /= 'bct')
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normal: do j = size(system,1)/2+1, size(system,1)
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write(label(i+1:i+2),"(I2.1)") int(system(j,p))
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label(i+3:i+3) = ' '
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i = i + 3
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enddo normal
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label(i:i) = ')'
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labels(s) = label
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enddo activeSystems
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enddo activeFamilies
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end function getlabels
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end module lattice
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