provide slip system components as functions
This commit is contained in:
Martin Diehl
parent
a896ed91f8
commit
d29b37f517
169
src/lattice.f90
169
src/lattice.f90
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@ -698,7 +698,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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real(pReal), dimension(3,lattice_maxNslip) :: &
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sd, sn
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integer(pInt) :: &
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j, i, &
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i, &
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myNslip, myNcleavage
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lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
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@ -2211,6 +2211,64 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
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end function lattice_SchmidMatrix_cleavage
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!--------------------------------------------------------------------------------------------------
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!> @brief Normal direction of slip systems (n)
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!--------------------------------------------------------------------------------------------------
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function lattice_slip_normal(Nslip,structure,cOverA) result(n)
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implicit none
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integer(pInt), 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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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(3,sum(Nslip)) :: n
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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n = coordinateSystem(1:3,1,1:sum(Nslip))
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end function lattice_slip_normal
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!--------------------------------------------------------------------------------------------------
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!> @brief Slip direction of slip systems (|| b)
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!> @details: t = b x n
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!--------------------------------------------------------------------------------------------------
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function lattice_slip_direction(Nslip,structure,cOverA) result(d)
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implicit none
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integer(pInt), 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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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(3,sum(Nslip)) :: d
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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d = coordinateSystem(1:3,2,1:sum(Nslip))
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end function lattice_slip_direction
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!--------------------------------------------------------------------------------------------------
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!> @brief Transverse direction of slip systems (||t, t = b x n)
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!--------------------------------------------------------------------------------------------------
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function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
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implicit none
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integer(pInt), 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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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(3,sum(Nslip)) :: t
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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t = coordinateSystem(1:3,3,1:sum(Nslip))
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end function lattice_slip_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the transverse direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for edge dislocations and for
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@ -2219,8 +2277,6 @@ end function lattice_SchmidMatrix_cleavage
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function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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use math, only: &
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math_mul3x3
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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@ -2229,36 +2285,9 @@ function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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real(pReal), dimension(:,:), allocatable :: slipSystems
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integer(pInt), dimension(:), allocatable :: NslipMax
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integer(pInt) :: i, j
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if (len_trim(structure) /= 3_pInt) &
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call IO_error(137_pInt,ext_msg='lattice_forestProjection: '//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_pInt,ext_msg='lattice_forestProjection: '//trim(structure))
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end select
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if (any(NslipMax(1:size(Nslip)) - Nslip < 0_pInt)) &
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call IO_error(145_pInt,ext_msg='Nslip '//trim(structure))
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if (any(Nslip < 0_pInt)) &
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call IO_error(144_pInt,ext_msg='Nslip '//trim(structure))
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coordinateSystem = buildCoordinateSystem(Nslip,NslipMax,slipSystems,structure,cOverA)
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
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projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,3,j)))
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@ -2275,8 +2304,6 @@ end function slipProjection_transverse
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function slipProjection_direction(Nslip,structure,cOverA) result(projection)
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use math, only: &
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math_mul3x3
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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@ -2285,36 +2312,9 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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real(pReal), dimension(:,:), allocatable :: slipSystems
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integer(pInt), dimension(:), allocatable :: NslipMax
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integer(pInt) :: i, j
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if (len_trim(structure) /= 3_pInt) &
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call IO_error(137_pInt,ext_msg='lattice_forestProjection: '//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_pInt,ext_msg='lattice_forestProjection: '//trim(structure))
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end select
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if (any(NslipMax(1:size(Nslip)) - Nslip < 0_pInt)) &
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call IO_error(145_pInt,ext_msg='Nslip '//trim(structure))
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if (any(Nslip < 0_pInt)) &
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call IO_error(144_pInt,ext_msg='Nslip '//trim(structure))
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coordinateSystem = buildCoordinateSystem(Nslip,NslipMax,slipSystems,structure,cOverA)
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
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projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,1,j)))
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@ -2330,8 +2330,6 @@ end function slipProjection_direction
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function slipProjection_normal(Nslip,structure,cOverA) result(projection)
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use math, only: &
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math_mul3x3
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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@ -2340,12 +2338,37 @@ function slipProjection_normal(Nslip,structure,cOverA) result(projection)
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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real(pReal), dimension(:,:), allocatable :: slipSystems
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integer(pInt), dimension(:), allocatable :: NslipMax
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integer(pInt) :: i, j
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coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
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do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
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projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,j)))
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enddo; enddo
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end function slipProjection_normal
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system on slip systems
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!> @details Order: Direction, plane (normal), and common perpendicular
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!--------------------------------------------------------------------------------------------------
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function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
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use math, only: &
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math_mul3x3
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use IO, only: &
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IO_error
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implicit none
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integer(pInt), 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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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
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real(pReal), dimension(:,:), allocatable :: slipSystems
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integer(pInt), dimension(:), allocatable :: NslipMax
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if (len_trim(structure) /= 3_pInt) &
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call IO_error(137_pInt,ext_msg='lattice_forestProjection: '//trim(structure))
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call IO_error(137_pInt,ext_msg='coordinateSystem_slip: '//trim(structure))
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select case(structure(1:3))
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case('fcc')
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@ -2361,7 +2384,7 @@ function slipProjection_normal(Nslip,structure,cOverA) result(projection)
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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_pInt,ext_msg='lattice_forestProjection: '//trim(structure))
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call IO_error(137_pInt,ext_msg='coordinateSystem_slip: '//trim(structure))
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end select
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if (any(NslipMax(1:size(Nslip)) - Nslip < 0_pInt)) &
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@ -2371,11 +2394,7 @@ function slipProjection_normal(Nslip,structure,cOverA) result(projection)
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coordinateSystem = buildCoordinateSystem(Nslip,NslipMax,slipSystems,structure,cOverA)
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do i=1_pInt, sum(Nslip); do j=1_pInt, sum(Nslip)
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projection(i,j) = abs(math_mul3x3(coordinateSystem(1:3,2,i),coordinateSystem(1:3,2,j)))
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enddo; enddo
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end function slipProjection_normal
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end function coordinateSystem_slip
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!--------------------------------------------------------------------------------------------------
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@ -2417,7 +2436,7 @@ end function buildInteraction
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system in a slip, twin, trans, cleavage system
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!> @brief build a local coordinate system on slip, twin, trans, cleavage systems
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!> @details Order: Direction, plane (normal), and common perpendicular
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!--------------------------------------------------------------------------------------------------
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function buildCoordinateSystem(active,complete,system,structure,cOverA)
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