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testing tI slip systems

This commit is contained in:
Martin Diehl 2023-08-29 12:55:42 +02:00
parent 854211a71f
commit 3f8a561465
1 changed files with 6 additions and 0 deletions
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6
src/crystal.f90
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@ -2249,6 +2249,12 @@ subroutine crystal_selfTest
CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pREAL) CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pREAL)
if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem' if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
if (any(dNeq(buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'cI',0.0_pReal), &
buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.0_pReal)))) &
error stop 'cI/tI coordinate system'
if (all(dEq( buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.1_pReal + r(1)*0.9_pReal), &
buildCoordinateSystem(TI_NSLIPSYSTEM,TI_NSLIPSYSTEM,TI_SYSTEMSLIP,'tI',1.0_pReal)))) &
error stop 'tI coordinate system'
do i = 1, 10 do i = 1, 10
call random_number(C) call random_number(C)
C_cF = crystal_symmetrize_C66(C,'cI') C_cF = crystal_symmetrize_C66(C,'cI')