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DAMASK_EICMD
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better handling of corner cases 

copy and paste from python code
This commit is contained in:
Martin Diehl 2020-07-13 12:38:21 +02:00
parent e0c2dbc948
commit dbca47f113
2 changed files with 5 additions and 3 deletions
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2
src/quaternions.f90
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@ -464,6 +464,8 @@ subroutine selfTest
real(pReal), dimension(4) :: qu
type(quaternion) :: q, q_2
if(dNeq(abs(P),1.0_pReal)) call IO_error(0,ext_msg='P not in {-1,+1}')
call random_number(qu)
qu = (qu-0.5_pReal) * 2.0_pReal
q = quaternion(qu)

6
src/rotations.f90
View File

@ -581,7 +581,7 @@ pure function om2eu(om) result(eu)
real(pReal), dimension(3) :: eu
real(pReal) :: zeta
if (abs(om(3,3)) < 1.0_pReal) then
if(dNeq(abs(om(3,3)),1.0_pReal,1.e-9_pReal)) then
zeta = 1.0_pReal/sqrt(1.0_pReal-om(3,3)**2.0_pReal)
eu = [atan2(om(3,1)*zeta,-om(3,2)*zeta), &
acos(om(3,3)), &
@ -589,8 +589,8 @@ pure function om2eu(om) result(eu)
else
eu = [atan2(om(1,2),om(1,1)), 0.5_pReal*PI*(1.0_pReal-om(3,3)),0.0_pReal ]
end if
where(eu<0.0_pReal) eu = mod(eu+2.0_pReal*PI,[2.0_pReal*PI,PI,2.0_pReal*PI])
where(abs(eu) < 1.e-8_pReal) eu = 0.0_pReal
where(eu<0.0_pReal) eu = mod(eu+2.0_pReal*PI,[2.0_pReal*PI,PI,2.0_pReal*PI])
end function om2eu