2019-03-07 09:10:43 +02:00
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from qpms import Particle, CTMatrix, BaseSpec, FinitePointGroup, ScatteringSystem
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from qpms.symmetries import point_group_info
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import numpy as np
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sym = FinitePointGroup(point_group_info['D3h'])
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bspec2 = BaseSpec(lMax=2)
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bspec1 = BaseSpec(lMax=1)
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t1 = CTMatrix(bspec1, np.diag(np.random.random(len(bspec1))))
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t2 = CTMatrix(bspec2, np.diag(np.random.random(len(bspec2))))
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p1 = Particle((1,2,),t1)
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p2 = Particle((1,2,3),t1)
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p3 = Particle((0.1,2),t2)
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ss = ScatteringSystem([p1, p2, p3], sym)
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2019-03-08 13:10:01 +02:00
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#print(ss.fecv_size, ss.saecv_sizes, ss.nirreps, ss.nirrep_names)
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fullvector = np.random.rand(ss.fecv_size) + 1j*np.random.rand(ss.fecv_size)
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packedvectors = [(iri, ss.pack_vector(fullvector, iri)) for iri in range(ss.nirreps)]
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unpackedvectors = np.array([ss.unpack_vector(v[1], v[0]) for v in packedvectors])
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rec_fullvector = np.sum(unpackedvectors, axis=0)
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thediff = np.amax(abs(rec_fullvector-fullvector))
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assert(thediff < 1e-14)
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2019-03-08 15:39:37 +02:00
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packedmatrices = list()
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for iri in range(ss.nirreps):
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d = ss.saecv_sizes[iri]
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m = np.random.rand(d,d)+1j*np.random.rand(d,d)
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packedmatrices.append((iri,m))
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fullmatrix = np.zeros((ss.fecv_size, ss.fecv_size), dtype=complex)
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for iri, m in packedmatrices:
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fullmatrix += ss.unpack_matrix(m, iri)
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