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DAMASK_EICMD
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easier to read

This commit is contained in:
Martin Diehl 2019-09-20 17:38:57 -07:00
parent 44125f3f09
commit 7fe3e3b406
1 changed files with 4 additions and 5 deletions
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9
src/lattice.f90
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@ -940,7 +940,7 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
do i = 1, sum(Ntwin)
call R%fromAxisAngle([coordinateSystem(1:3,2,i),PI],P=1) ! ToDo: Why always 180 deg?
lattice_C66_twin(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(math_66toSym3333(C66),R%asMatrix()))
lattice_C66_twin(1:6,1:6,i) = math_sym3333to66(R%rotate(math_66toSym3333(C66)))
enddo
end function lattice_C66_twin
@ -992,18 +992,17 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
call IO_error(137,ext_msg='lattice_C66_trans (target): '//trim(structure_target))
endif
do i = 1, 6
if (abs(C_target_unrotated66(i,i))<tol_math_check) &
call IO_error(135,el=i,ext_msg='matrix diagonal "el"ement in transformation')
enddo
C_target_unrotated = math_66toSym3333(C_target_unrotated66)
call buildTransformationSystem(Q,S,Ntrans,CoverA_trans,a_fcc,a_bcc)
C_target_unrotated = math_66toSym3333(C_target_unrotated66)
do i = 1, sum(Ntrans)
call R%fromMatrix(Q(1:3,1:3,i))
lattice_C66_trans(1:6,1:6,i) &
= math_sym3333to66(math_rotate_forward3333(C_target_unrotated,R%asMatrix()))
lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(R%rotate(C_target_unrotated))
enddo
end function lattice_C66_trans