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DAMASK_EICMD
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avoid negative zero when not needed

This commit is contained in:
Martin Diehl 2022-05-20 06:30:07 +02:00
parent 6b6c2548c5
commit 491e2ec0b2
2 changed files with 6 additions and 6 deletions
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2
src/material.f90
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@ -164,7 +164,7 @@ subroutine parse()
call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4)) call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
material_V_e_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('V_e',defaultVal=math_I3,requiredShape=[3,3]) material_V_e_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('V_e',defaultVal=math_I3,requiredShape=[3,3])
if (any(dNeq(material_V_e_0(ma)%data(1:3,1:3,co),transpose(material_V_e_0(ma)%data(1:3,1:3,co))))) & if (any(dNeq(material_V_e_0(ma)%data(1:3,1:3,co),transpose(material_V_e_0(ma)%data(1:3,1:3,co))))) &
call IO_error(147) call IO_error(147)
end do end do
if (dNeq(sum(v_of(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent') if (dNeq(sum(v_of(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent')

10
src/rotations.f90
View File

@ -574,7 +574,7 @@ end function qu2cu
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief convert rotation matrix to cubochoric !> @brief convert rotation matrix to unit quaternion
!> @details the original formulation (direct conversion) had (numerical?) issues !> @details the original formulation (direct conversion) had (numerical?) issues
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function om2qu(om) result(qu) pure function om2qu(om) result(qu)
@ -601,14 +601,14 @@ pure function om2qu(om) result(qu)
endif endif
endif endif
if(sign(1.0_pReal,qu(1))<0.0_pReal) qu =-1.0_pReal * qu if(sign(1.0_pReal,qu(1))<0.0_pReal) qu =-1.0_pReal * qu
qu = qu*[1.0_pReal,P,P,P] qu(2:4) = merge(qu(2:4),qu(2:4)*P,dEq0(qu(2:4)))
end function om2qu end function om2qu
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @author Marc De Graef, Carnegie Mellon University !> @author Marc De Graef, Carnegie Mellon University
!> @brief orientation matrix to Euler angles !> @brief convert orientation matrix to Euler angles
!> @details Two step check for special cases to avoid invalid operations (not needed for python) !> @details Two step check for special cases to avoid invalid operations (not needed for python)
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
pure function om2eu(om) result(eu) pure function om2eu(om) result(eu)
@ -1333,8 +1333,8 @@ pure function cu2ho(cu) result(ho)
! transform to sphere grid (inverse Lambert) ! transform to sphere grid (inverse Lambert)
! [note that there is no need to worry about dividing by zero, since XYZ(3) can not become zero] ! [note that there is no need to worry about dividing by zero, since XYZ(3) can not become zero]
c = sum(T**2) c = sum(T**2)
s = PI * c/(24.0*XYZ(3)**2) s = c * PI/(24.0*XYZ(3)**2)
c = sqrt(PI) * c / sqrt(24.0_pReal) / XYZ(3) c = c * sqrt(PI/24.0_pReal) / XYZ(3)
q = sqrt( 1.0 - s ) q = sqrt( 1.0 - s )
LamXYZ = [ T(order(2)) * q, T(order(1)) * q, PREF * XYZ(3) - c ] LamXYZ = [ T(order(2)) * q, T(order(1)) * q, PREF * XYZ(3) - c ]
end if special end if special