Merge branch 'fix-bct-slip-systems' into 'development'
bugfix: wrong definition of bct slip systems See merge request damask/DAMASK!806
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a765074a1f
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@ -1902,7 +1902,7 @@ end function buildInteraction
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!> @brief Build a local coordinate system on slip, twin, trans, cleavage systems
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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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!> @details Order: Direction, plane (normal), and common perpendicular
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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function buildCoordinateSystem(active,potential,system,lattice,cOverA)
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function buildCoordinateSystem(active,potential,system,lattice,cOverA) result(coordinateSystem)
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integer, dimension(:), intent(in) :: &
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integer, dimension(:), intent(in) :: &
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active, & !< # of active systems per family
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active, & !< # of active systems per family
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@ -1914,7 +1914,7 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
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real(pREAL), intent(in) :: &
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real(pREAL), intent(in) :: &
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cOverA
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cOverA
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real(pREAL), dimension(3,3,sum(active)) :: &
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real(pREAL), dimension(3,3,sum(active)) :: &
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buildCoordinateSystem
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coordinateSystem
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real(pREAL), dimension(3) :: &
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real(pREAL), dimension(3) :: &
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direction, normal
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direction, normal
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@ -1937,10 +1937,14 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
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select case(lattice)
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select case(lattice)
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case ('cF','cI','tI')
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case ('cF','cI')
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direction = system(1:3,p)
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direction = system(1:3,p)
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normal = system(4:6,p)
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normal = system(4:6,p)
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case ('tI')
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direction = [ system(1,p), system(2,p), system(3,p)*cOverA ]
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normal = [ system(4,p), system(5,p), system(6,p)/cOverA ]
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case ('hP')
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case ('hP')
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direction = [ system(1,p)*1.5_pREAL, &
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direction = [ system(1,p)*1.5_pREAL, &
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(system(1,p)+2.0_pREAL*system(2,p))*sqrt(0.75_pREAL), &
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(system(1,p)+2.0_pREAL*system(2,p))*sqrt(0.75_pREAL), &
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@ -1954,10 +1958,10 @@ function buildCoordinateSystem(active,potential,system,lattice,cOverA)
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end select
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end select
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buildCoordinateSystem(1:3,1,a) = direction/norm2(direction)
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coordinateSystem(1:3,1,a) = direction/norm2(direction)
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buildCoordinateSystem(1:3,2,a) = normal /norm2(normal)
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coordinateSystem(1:3,2,a) = normal /norm2(normal)
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buildCoordinateSystem(1:3,3,a) = math_cross(direction/norm2(direction),&
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coordinateSystem(1:3,3,a) = math_cross(direction/norm2(direction),&
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normal /norm2(normal))
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normal /norm2(normal))
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end do activeSystems
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end do activeSystems
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end do activeFamilies
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end do activeFamilies
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@ -2245,6 +2249,12 @@ subroutine crystal_selfTest
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CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pREAL)
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CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pREAL)
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if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
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if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
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if (any(dNeq(buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'cI',0.0_pReal), &
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buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.0_pReal)))) &
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error stop 'cI/tI coordinate system'
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if (all(dEq( buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.1_pReal + r(1)*0.9_pReal), &
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buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.0_pReal)))) &
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error stop 'tI coordinate system'
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do i = 1, 10
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do i = 1, 10
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call random_number(C)
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call random_number(C)
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C_cF = crystal_symmetrize_C66(C,'cI')
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C_cF = crystal_symmetrize_C66(C,'cI')
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