structured according to family
This commit is contained in:
Martin Diehl
parent
96767e75a3
commit
bb5db3e79c
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@ -340,178 +340,183 @@ class Crystal():
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"""
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"""
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_kinematics = {
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_kinematics = {
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'cF': {
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'cF': {
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'slip' : np.array([
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'slip' :[np.array([
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[+0,+1,-1, +1,+1,+1],
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[+0,+1,-1, +1,+1,+1],
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[-1,+0,+1, +1,+1,+1],
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[-1,+0,+1, +1,+1,+1],
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[+1,-1,+0, +1,+1,+1],
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[+1,-1,+0, +1,+1,+1],
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[+0,-1,-1, -1,-1,+1],
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[+0,-1,-1, -1,-1,+1],
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[+1,+0,+1, -1,-1,+1],
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[+1,+0,+1, -1,-1,+1],
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[-1,+1,+0, -1,-1,+1],
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[-1,+1,+0, -1,-1,+1],
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[+0,-1,+1, +1,-1,-1],
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[+0,-1,+1, +1,-1,-1],
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[-1,+0,-1, +1,-1,-1],
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[-1,+0,-1, +1,-1,-1],
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[+1,+1,+0, +1,-1,-1],
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[+1,+1,+0, +1,-1,-1],
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[+0,+1,+1, -1,+1,-1],
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[+0,+1,+1, -1,+1,-1],
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[+1,+0,-1, -1,+1,-1],
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[+1,+0,-1, -1,+1,-1],
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[-1,-1,+0, -1,+1,-1],
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[-1,-1,+0, -1,+1,-1]]),
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[+1,+1,+0, +1,-1,+0],
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np.array([
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[+1,-1,+0, +1,+1,+0],
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[+1,+1,+0, +1,-1,+0],
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[+1,+0,+1, +1,+0,-1],
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[+1,-1,+0, +1,+1,+0],
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[+1,+0,-1, +1,+0,+1],
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[+1,+0,+1, +1,+0,-1],
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[+0,+1,+1, +0,+1,-1],
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[+1,+0,-1, +1,+0,+1],
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[+0,+1,-1, +0,+1,+1],
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[+0,+1,+1, +0,+1,-1],
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],dtype=float),
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[+0,+1,-1, +0,+1,+1]])],
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'twin' : np.array([
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'twin' :[np.array([
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[-2, 1, 1, 1, 1, 1],
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[-2, 1, 1, 1, 1, 1],
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[ 1,-2, 1, 1, 1, 1],
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[ 1,-2, 1, 1, 1, 1],
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[ 1, 1,-2, 1, 1, 1],
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[ 1, 1,-2, 1, 1, 1],
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[ 2,-1, 1, -1,-1, 1],
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[ 2,-1, 1, -1,-1, 1],
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[-1, 2, 1, -1,-1, 1],
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[-1, 2, 1, -1,-1, 1],
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[-1,-1,-2, -1,-1, 1],
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[-1,-1,-2, -1,-1, 1],
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[-2,-1,-1, 1,-1,-1],
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[-2,-1,-1, 1,-1,-1],
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[ 1, 2,-1, 1,-1,-1],
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[ 1, 2,-1, 1,-1,-1],
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[ 1,-1, 2, 1,-1,-1],
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[ 1,-1, 2, 1,-1,-1],
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[ 2, 1,-1, -1, 1,-1],
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[ 2, 1,-1, -1, 1,-1],
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[-1,-2,-1, -1, 1,-1],
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[-1,-2,-1, -1, 1,-1],
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[-1, 1, 2, -1, 1,-1],
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[-1, 1, 2, -1, 1,-1]])]
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],dtype=float),
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},
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},
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'cI': {
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'cI': {
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'slip' : np.array([
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'slip' :[np.array([
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[+1,-1,+1, +0,+1,+1],
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[+1,-1,+1, +0,+1,+1],
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[-1,-1,+1, +0,+1,+1],
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[-1,-1,+1, +0,+1,+1],
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[+1,+1,+1, +0,-1,+1],
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[+1,+1,+1, +0,-1,+1],
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[-1,+1,+1, +0,-1,+1],
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[-1,+1,+1, +0,-1,+1],
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[-1,+1,+1, +1,+0,+1],
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[-1,+1,+1, +1,+0,+1],
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[-1,-1,+1, +1,+0,+1],
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[-1,-1,+1, +1,+0,+1],
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[+1,+1,+1, -1,+0,+1],
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[+1,+1,+1, -1,+0,+1],
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[+1,-1,+1, -1,+0,+1],
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[+1,-1,+1, -1,+0,+1],
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[-1,+1,+1, +1,+1,+0],
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[-1,+1,+1, +1,+1,+0],
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[-1,+1,-1, +1,+1,+0],
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[-1,+1,-1, +1,+1,+0],
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[+1,+1,+1, -1,+1,+0],
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[+1,+1,+1, -1,+1,+0],
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[+1,+1,-1, -1,+1,+0],
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[+1,+1,-1, -1,+1,+0]]),
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[-1,+1,+1, +2,+1,+1],
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np.array([
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[+1,+1,+1, -2,+1,+1],
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[-1,+1,+1, +2,+1,+1],
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[+1,+1,-1, +2,-1,+1],
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[+1,+1,+1, -2,+1,+1],
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[+1,-1,+1, +2,+1,-1],
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[+1,+1,-1, +2,-1,+1],
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[+1,-1,+1, +1,+2,+1],
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[+1,-1,+1, +2,+1,-1],
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[+1,+1,-1, -1,+2,+1],
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[+1,-1,+1, +1,+2,+1],
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[+1,+1,+1, +1,-2,+1],
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[+1,+1,-1, -1,+2,+1],
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[-1,+1,+1, +1,+2,-1],
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[+1,+1,+1, +1,-2,+1],
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[+1,+1,-1, +1,+1,+2],
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[-1,+1,+1, +1,+2,-1],
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[+1,-1,+1, -1,+1,+2],
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[+1,+1,-1, +1,+1,+2],
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[-1,+1,+1, +1,-1,+2],
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[+1,-1,+1, -1,+1,+2],
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[+1,+1,+1, +1,+1,-2],
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[-1,+1,+1, +1,-1,+2],
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[+1,+1,-1, +1,+2,+3],
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[+1,+1,+1, +1,+1,-2]]),
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[+1,-1,+1, -1,+2,+3],
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np.array([
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[-1,+1,+1, +1,-2,+3],
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[+1,+1,-1, +1,+2,+3],
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[+1,+1,+1, +1,+2,-3],
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[+1,-1,+1, -1,+2,+3],
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[+1,-1,+1, +1,+3,+2],
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[-1,+1,+1, +1,-2,+3],
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[+1,+1,-1, -1,+3,+2],
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[+1,+1,+1, +1,+2,-3],
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[+1,+1,+1, +1,-3,+2],
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[+1,-1,+1, +1,+3,+2],
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[-1,+1,+1, +1,+3,-2],
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[+1,+1,-1, -1,+3,+2],
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[+1,+1,-1, +2,+1,+3],
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[+1,+1,+1, +1,-3,+2],
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[+1,-1,+1, -2,+1,+3],
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[-1,+1,+1, +1,+3,-2],
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[-1,+1,+1, +2,-1,+3],
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[+1,+1,-1, +2,+1,+3],
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[+1,+1,+1, +2,+1,-3],
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[+1,-1,+1, -2,+1,+3],
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[+1,-1,+1, +2,+3,+1],
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[-1,+1,+1, +2,-1,+3],
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[+1,+1,-1, -2,+3,+1],
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[+1,+1,+1, +2,+1,-3],
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[+1,+1,+1, +2,-3,+1],
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[+1,-1,+1, +2,+3,+1],
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[-1,+1,+1, +2,+3,-1],
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[+1,+1,-1, -2,+3,+1],
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[-1,+1,+1, +3,+1,+2],
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[+1,+1,+1, +2,-3,+1],
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[+1,+1,+1, -3,+1,+2],
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[-1,+1,+1, +2,+3,-1],
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[+1,+1,-1, +3,-1,+2],
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[-1,+1,+1, +3,+1,+2],
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[+1,-1,+1, +3,+1,-2],
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[+1,+1,+1, -3,+1,+2],
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[-1,+1,+1, +3,+2,+1],
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[+1,+1,-1, +3,-1,+2],
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[+1,+1,+1, -3,+2,+1],
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[+1,-1,+1, +3,+1,-2],
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[+1,+1,-1, +3,-2,+1],
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[-1,+1,+1, +3,+2,+1],
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[+1,-1,+1, +3,+2,-1],
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[+1,+1,+1, -3,+2,+1],
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],dtype=float),
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[+1,+1,-1, +3,-2,+1],
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'twin' : np.array([
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[+1,-1,+1, +3,+2,-1]])],
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[-1, 1, 1, 2, 1, 1],
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'twin' :[np.array([
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[ 1, 1, 1, -2, 1, 1],
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[-1, 1, 1, 2, 1, 1],
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[ 1, 1,-1, 2,-1, 1],
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[ 1, 1, 1, -2, 1, 1],
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[ 1,-1, 1, 2, 1,-1],
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[ 1, 1,-1, 2,-1, 1],
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[ 1,-1, 1, 1, 2, 1],
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[ 1,-1, 1, 2, 1,-1],
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[ 1, 1,-1, -1, 2, 1],
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[ 1,-1, 1, 1, 2, 1],
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[ 1, 1, 1, 1,-2, 1],
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[ 1, 1,-1, -1, 2, 1],
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[-1, 1, 1, 1, 2,-1],
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[ 1, 1, 1, 1,-2, 1],
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[ 1, 1,-1, 1, 1, 2],
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[-1, 1, 1, 1, 2,-1],
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[ 1,-1, 1, -1, 1, 2],
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[ 1, 1,-1, 1, 1, 2],
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[-1, 1, 1, 1,-1, 2],
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[ 1,-1, 1, -1, 1, 2],
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[ 1, 1, 1, 1, 1,-2],
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[-1, 1, 1, 1,-1, 2],
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],dtype=float),
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[ 1, 1, 1, 1, 1,-2]])]
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},
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},
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'hP': {
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'hP': {
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'slip' : np.array([
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'slip' :[np.array([
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[+2,-1,-1,+0, +0,+0,+0,+1],
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[+2,-1,-1,+0, +0,+0,+0,+1],
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[-1,+2,-1,+0, +0,+0,+0,+1],
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[-1,+2,-1,+0, +0,+0,+0,+1],
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[-1,-1,+2,+0, +0,+0,+0,+1],
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[-1,-1,+2,+0, +0,+0,+0,+1]]),
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[+2,-1,-1,+0, +0,+1,-1,+0],
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np.array([
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[-1,+2,-1,+0, -1,+0,+1,+0],
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[+2,-1,-1,+0, +0,+1,-1,+0],
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[-1,-1,+2,+0, +1,-1,+0,+0],
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[-1,+2,-1,+0, -1,+0,+1,+0],
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[-1,+1,+0,+0, +1,+1,-2,+0],
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[-1,-1,+2,+0, +1,-1,+0,+0]]),
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[+0,-1,+1,+0, -2,+1,+1,+0],
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np.array([
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[+1,+0,-1,+0, +1,-2,+1,+0],
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[-1,+1,+0,+0, +1,+1,-2,+0],
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[-1,+2,-1,+0, +1,+0,-1,+1],
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[+0,-1,+1,+0, -2,+1,+1,+0],
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[-2,+1,+1,+0, +0,+1,-1,+1],
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[+1,+0,-1,+0, +1,-2,+1,+0]]),
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[-1,-1,+2,+0, -1,+1,+0,+1],
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np.array([
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[+1,-2,+1,+0, -1,+0,+1,+1],
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[-1,+2,-1,+0, +1,+0,-1,+1],
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[+2,-1,-1,+0, +0,-1,+1,+1],
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[-2,+1,+1,+0, +0,+1,-1,+1],
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[+1,+1,-2,+0, +1,-1,+0,+1],
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[-1,-1,+2,+0, -1,+1,+0,+1],
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[-2,+1,+1,+3, +1,+0,-1,+1],
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[+1,-2,+1,+0, -1,+0,+1,+1],
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[-1,-1,+2,+3, +1,+0,-1,+1],
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[+2,-1,-1,+0, +0,-1,+1,+1],
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[-1,-1,+2,+3, +0,+1,-1,+1],
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[+1,+1,-2,+0, +1,-1,+0,+1]]),
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[+1,-2,+1,+3, +0,+1,-1,+1],
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np.array([
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[+1,-2,+1,+3, -1,+1,+0,+1],
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[-2,+1,+1,+3, +1,+0,-1,+1],
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[+2,-1,-1,+3, -1,+1,+0,+1],
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[-1,-1,+2,+3, +1,+0,-1,+1],
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[+2,-1,-1,+3, -1,+0,+1,+1],
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[-1,-1,+2,+3, +0,+1,-1,+1],
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[+1,+1,-2,+3, -1,+0,+1,+1],
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[+1,-2,+1,+3, +0,+1,-1,+1],
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[+1,+1,-2,+3, +0,-1,+1,+1],
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[+1,-2,+1,+3, -1,+1,+0,+1],
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[-1,+2,-1,+3, +0,-1,+1,+1],
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[+2,-1,-1,+3, -1,+1,+0,+1],
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[-1,+2,-1,+3, +1,-1,+0,+1],
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[+2,-1,-1,+3, -1,+0,+1,+1],
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[-2,+1,+1,+3, +1,-1,+0,+1],
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[+1,+1,-2,+3, -1,+0,+1,+1],
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[-1,-1,+2,+3, +1,+1,-2,+2],
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[+1,+1,-2,+3, +0,-1,+1,+1],
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[+1,-2,+1,+3, -1,+2,-1,+2],
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[-1,+2,-1,+3, +0,-1,+1,+1],
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[+2,-1,-1,+3, -2,+1,+1,+2],
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[-1,+2,-1,+3, +1,-1,+0,+1],
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[+1,+1,-2,+3, -1,-1,+2,+2],
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[-2,+1,+1,+3, +1,-1,+0,+1]]),
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[-1,+2,-1,+3, +1,-2,+1,+2],
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np.array([
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[-2,+1,+1,+3, +2,-1,-1,+2],
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[-1,-1,+2,+3, +1,+1,-2,+2],
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],dtype=float),
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[+1,-2,+1,+3, -1,+2,-1,+2],
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'twin' : np.array([
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[+2,-1,-1,+3, -2,+1,+1,+2],
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[-1, 0, 1, 1, 1, 0,-1, 2], # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2}
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[+1,+1,-2,+3, -1,-1,+2,+2],
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[ 0,-1, 1, 1, 0, 1,-1, 2],
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[-1,+2,-1,+3, +1,-2,+1,+2],
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[ 1,-1, 0, 1, -1, 1, 0, 2],
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[-2,+1,+1,+3, +2,-1,-1,+2]])],
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[ 1, 0,-1, 1, -1, 0, 1, 2],
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'twin' :[np.array([
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[ 0, 1,-1, 1, 0,-1, 1, 2],
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[-1, 0, 1, 1, 1, 0,-1, 2], # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2}
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[-1, 1, 0, 1, 1,-1, 0, 2],
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[ 0,-1, 1, 1, 0, 1,-1, 2],
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[-1,-1, 2, 6, 1, 1,-2, 1], # shear = 1/(c/a) <11.6>{-1-1.1}
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[ 1,-1, 0, 1, -1, 1, 0, 2],
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[ 1,-2, 1, 6, -1, 2,-1, 1],
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[ 1, 0,-1, 1, -1, 0, 1, 2],
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[ 2,-1,-1, 6, -2, 1, 1, 1],
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[ 0, 1,-1, 1, 0,-1, 1, 2],
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[ 1, 1,-2, 6, -1,-1, 2, 1],
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[-1, 1, 0, 1, 1,-1, 0, 2]]),
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[-1, 2,-1, 6, 1,-2, 1, 1],
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np.array([
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[-2, 1, 1, 6, 2,-1,-1, 1],
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[-1,-1, 2, 6, 1, 1,-2, 1], # shear = 1/(c/a) <11.6>{-1-1.1}
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[ 1, 0,-1,-2, 1, 0,-1, 1], # shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) <10.-2>{10.1}
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[ 1,-2, 1, 6, -1, 2,-1, 1],
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[ 0, 1,-1,-2, 0, 1,-1, 1],
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[ 2,-1,-1, 6, -2, 1, 1, 1],
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[-1, 1, 0,-2, -1, 1, 0, 1],
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[ 1, 1,-2, 6, -1,-1, 2, 1],
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[-1, 0, 1,-2, -1, 0, 1, 1],
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[-1, 2,-1, 6, 1,-2, 1, 1],
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[ 0,-1, 1,-2, 0,-1, 1, 1],
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[-2, 1, 1, 6, 2,-1,-1, 1]]),
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[ 1,-1, 0,-2, 1,-1, 0, 1],
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np.array([
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[ 1, 1,-2,-3, 1, 1,-2, 2], # shear = 2((c/a)^2-2)/(3 c/a) <11.-3>{11.2}
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[ 1, 0,-1,-2, 1, 0,-1, 1], # shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) <10.-2>{10.1}
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[-1, 2,-1,-3, -1, 2,-1, 2],
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[ 0, 1,-1,-2, 0, 1,-1, 1],
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[-2, 1, 1,-3, -2, 1, 1, 2],
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[-1, 1, 0,-2, -1, 1, 0, 1],
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[-1,-1, 2,-3, -1,-1, 2, 2],
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[-1, 0, 1,-2, -1, 0, 1, 1],
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[ 1,-2, 1,-3, 1,-2, 1, 2],
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[ 0,-1, 1,-2, 0,-1, 1, 1],
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[ 2,-1,-1,-3, 2,-1,-1, 2],
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[ 1,-1, 0,-2, 1,-1, 0, 1]]),
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],dtype=float),
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np.array([
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[ 1, 1,-2,-3, 1, 1,-2, 2], # shear = 2((c/a)^2-2)/(3 c/a) <11.-3>{11.2}
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[-1, 2,-1,-3, -1, 2,-1, 2],
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[-2, 1, 1,-3, -2, 1, 1, 2],
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[-1,-1, 2,-3, -1,-1, 2, 2],
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[ 1,-2, 1,-3, 1,-2, 1, 2],
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[ 2,-1,-1,-3, 2,-1,-1, 2]])]
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},
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},
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}
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}
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master = _kinematics[self.lattice][mode]
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master = _kinematics[self.lattice][mode]
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if self.lattice == 'hP':
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if self.lattice == 'hP':
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return {'direction':util.Bravais_to_Miller(uvtw=master[:,0:4]),
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return {'direction':[util.Bravais_to_Miller(uvtw=m[:,0:4]) for m in master],
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'plane': util.Bravais_to_Miller(hkil=master[:,4:8])}
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'plane': [util.Bravais_to_Miller(hkil=m[:,4:8]) for m in master]}
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else:
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else:
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return {'direction':master[:,0:3],
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return {'direction':[m[:,0:3] for m in master],
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'plane': master[:,3:6]}
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'plane': [m[:,3:6] for m in master]}
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def relation_operations(self,model):
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def relation_operations(self,model):
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@ -882,8 +882,8 @@ class Orientation(Rotation,Crystal):
|
||||||
[ 0.000, 0.000, 0.000]])
|
[ 0.000, 0.000, 0.000]])
|
||||||
|
|
||||||
"""
|
"""
|
||||||
d = self.to_frame(uvw=self.kinematics(mode)['direction'])
|
d = self.to_frame(uvw=np.vstack(self.kinematics(mode)['direction']))
|
||||||
p = self.to_frame(hkl=self.kinematics(mode)['plane'])
|
p = self.to_frame(hkl=np.vstack(self.kinematics(mode)['plane']))
|
||||||
P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
|
P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
|
||||||
p/np.linalg.norm(p,axis=1,keepdims=True))
|
p/np.linalg.norm(p,axis=1,keepdims=True))
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue