Added correspondance matrix
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achalhp
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@ -400,7 +400,8 @@ module lattice
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lattice_slip_direction, &
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lattice_slip_transverse, &
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lattice_labels_slip, &
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lattice_labels_twin
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lattice_labels_twin, &
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lattice_CorrespondanceMatrix_twin !< Achal
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contains
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@ -2283,4 +2284,68 @@ subroutine selfTest
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end subroutine selfTest
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!--------------------------------------------------------------------------------------------------
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!> @brief correspondance matrix for twinning
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!> details only active twin systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_CorrespondanceMatrix_twin(Ntwin,structure,cOverA) result(CorrespondanceMatrix)
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use prec, only: &
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tol_math_check
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use IO, only: &
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IO_error
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use math, only: &
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math_mul3333xx33, &
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math_axisAngleToR, &
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INRAD, &
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math_I3
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implicit none
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integer, dimension(:), intent(in) :: Ntwin !< number of active twin 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(Ntwin)) :: CorrespondanceMatrix
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real(pReal), dimension(3,3,sum(Ntwin)) :: coordinateSystem
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real(pReal), dimension(sum(Ntwin)) :: characteristicShearTwin
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real(pReal), dimension(3,3,sum(Ntwin)) :: SchmidMatrixTwin
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real(pReal), dimension(:,:), allocatable :: twinSystems
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integer, dimension(:), allocatable :: NtwinMax
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integer :: i
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_CorrespondanceMatrix_twin: '//trim(structure))
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select case(structure(1:3))
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case('fcc')
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NtwinMax = CF_NTWINSYSTEM
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twinSystems = CF_SYSTEMTWIN
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case('bcc')
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NtwinMax = CI_NTWINSYSTEM
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twinSystems = CI_SYSTEMTWIN
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case('hex')
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NtwinMax = HP_NTWINSYSTEM
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twinSystems = HP_SYSTEMTWIN !< the twin system matrix is different from V2.0
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case default
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call IO_error(137,ext_msg='lattice_CorrespondanceMatrix_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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coordinateSystem = buildCoordinateSystem(Ntwin,NtwinMax,twinSystems,structure,cOverA)
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! characteristicShearTwin = 0.0_pReal*lattice_characteristicShear_Twin(Ntwin,structure,cOverA) ! for removing shear from CorrespondanceMatrix
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characteristicShearTwin = lattice_characteristicShear_Twin(Ntwin,structure,cOverA)
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SchmidMatrixTwin = lattice_SchmidMatrix_twin(Ntwin,structure,cOverA)
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do i = 1, sum(Ntwin)
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CorrespondanceMatrix(1:3,1:3,i) = math_mul3333xx33(math_axisAngleToR(coordinateSystem(1:3,2,i), &
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180.0_pReal*INRAD), MATH_I3 + characteristicShearTwin(i)* &
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SchmidMatrixTwin(1:3,1:3,i))
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enddo
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end function lattice_CorrespondanceMatrix_twin
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end module lattice
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42
src/math.f90
42
src/math.f90
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@ -1488,4 +1488,46 @@ subroutine selfTest()
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end subroutine selfTest
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!--------------------------------------------------------------------------------------------------
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!> @brief rotation matrix from axis and angle (in radians)
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!> @details rotation matrix is meant to represent a ACTIVE rotation
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!> @details (see http://en.wikipedia.org/wiki/Euler_angles for definitions)
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!> @details formula for active rotation taken from http://mathworld.wolfram.com/RodriguesRotationFormula.html
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!> @details equivalent to eu2om (P=-1) from "D Rowenhorst et al. Consistent representations of and
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!> @details conversions between 3D rotations, Model. Simul. Mater. Sci. Eng. 23-8 (2015)"
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!--------------------------------------------------------------------------------------------------
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pure function math_axisAngleToR(axis,omega)
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implicit none
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real(pReal), dimension(3,3) :: math_axisAngleToR
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real(pReal), dimension(3), intent(in) :: axis
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real(pReal), intent(in) :: omega
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real(pReal), dimension(3) :: n
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real(pReal) :: norm,s,c,c1
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norm = norm2(axis)
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wellDefined: if (norm > 1.0e-8_pReal) then
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n = axis/norm ! normalize axis to be sure
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s = sin(omega)
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c = cos(omega)
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c1 = 1.0_pReal - c
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math_axisAngleToR(1,1) = c + c1*n(1)**2.0_pReal
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math_axisAngleToR(1,2) = c1*n(1)*n(2) - s*n(3)
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math_axisAngleToR(1,3) = c1*n(1)*n(3) + s*n(2)
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math_axisAngleToR(2,1) = c1*n(1)*n(2) + s*n(3)
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math_axisAngleToR(2,2) = c + c1*n(2)**2.0_pReal
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math_axisAngleToR(2,3) = c1*n(2)*n(3) - s*n(1)
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math_axisAngleToR(3,1) = c1*n(1)*n(3) - s*n(2)
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math_axisAngleToR(3,2) = c1*n(2)*n(3) + s*n(1)
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math_axisAngleToR(3,3) = c + c1*n(3)**2.0_pReal
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else wellDefined
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math_axisAngleToR = math_I3
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endif wellDefined
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end function math_axisAngleToR
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end module math
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@ -280,18 +280,18 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
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Nmembers = count(material_phaseID == ph)
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sizeDotState = size(['xi_sl ','gamma_sl']) * prm%sum_N_sl &
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+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw &
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+ size(['xi_tw_nucl','xi_tw_grow']) * prm%sum_N_tw !& ! Why not size(['xi_tw_nucl','gamma_tw'])?
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+ size(['xi_tw_nucl','xi_tw_grow']) * prm%sum_N_tw !& ! Achal Why not size(['xi_tw_nucl','gamma_tw'])?
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!+ size(['f_tw_nucl','f_tw_grow']) * prm%sum_N_tw &
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!+ size(['variant_twin','frozen']) * prm%sum_N_tw &
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sizeState = size(['xi_sl ','gamma_sl']) * prm%sum_N_sl &
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+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw &
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+ size(['xi_tw_nucl','xi_tw_grow']) * prm%sum_N_tw !& ! Why not size(['xi_tw_nucl','gamma_tw'])?
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!+ size(['f_tw_nucl','f_tw_grow']) * prm%sum_N_tw &
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!+ size(['fmc_tw_nucl','fmc_tw_grow']) * prm%sum_N_tw &
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!+ size(['variant_twin','frozen']) * prm%sum_N_tw &
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+ size(['xi_tw_nucl','xi_tw_grow']) * prm%sum_N_tw !& ! Achal Why not size(['xi_tw_nucl','gamma_tw'])?
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!+ size(['f_tw_nucl','f_tw_grow']) * prm%sum_N_tw & !Achal
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!+ size(['fmc_tw_nucl','fmc_tw_grow']) * prm%sum_N_tw & !Achal
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!+ size(['variant_twin','frozen']) * prm%sum_N_tw & !Achal
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call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
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deallocate(plasticState(ph)%dotState) ! ToDo: remove dotState completely
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deallocate(plasticState(ph)%dotState) ! ToDo: remove dotState completely
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -323,19 +323,19 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
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stt%gamma_tw => plasticState(ph)%state(startIndex:endIndex,:)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
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startIndex = endIndex + 1
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endIndex = endIndex + prm%sum_N_tw
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idx_dot%xi_tw_nucl = [startIndex,endIndex]
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stt%xi_tw_nucl => plasticState(ph)%state(startIndex:endIndex,:)
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stt%xi_tw_nucl = spread(xi_0_tw, 2, Nmembers)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
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startIndex = endIndex + 1 !Achal
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endIndex = endIndex + prm%sum_N_tw !Achal
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idx_dot%xi_tw_nucl = [startIndex,endIndex] !Achal
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stt%xi_tw_nucl => plasticState(ph)%state(startIndex:endIndex,:) !Achal
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stt%xi_tw_nucl = spread(xi_0_tw, 2, Nmembers) !Achal
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal) !Achal
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startIndex = endIndex + 1
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endIndex = endIndex + prm%sum_N_tw
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idx_dot%xi_tw_grow = [startIndex,endIndex]
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stt%xi_tw_grow => plasticState(ph)%state(startIndex:endIndex,:)
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stt%xi_tw_grow = spread(xi_0_tw, 2, Nmembers)
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
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startIndex = endIndex + 1 !Achal
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endIndex = endIndex + prm%sum_N_tw !Achal
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idx_dot%xi_tw_grow = [startIndex,endIndex] !Achal
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stt%xi_tw_grow => plasticState(ph)%state(startIndex:endIndex,:) !Achal
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stt%xi_tw_grow = spread(xi_0_tw, 2, Nmembers) !Achal
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plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal) !Achal
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!startIndex = endIndex + 1
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!endIndex = endIndex + prm%sum_N_tw
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@ -601,7 +601,7 @@ module subroutine plastic_kinematic_deltaFp(twinJump,deltaFp,ipc, ip, el)
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! ! enddo TwinLooptest
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! !Saving the neighbor information in an array
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!Saving the neighbor information in an array
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! NeighborLoop1: do n = 1_pInt,FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,el)))) ! only 4 neighbors for quasi 2D (1 element in z direction)
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! neighbor_el = mesh_ipNeighborhood(1,n,ip,el)
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! neighbor_ip = mesh_ipNeighborhood(2,n,ip,el)
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