66 lines
1.9 KiB
Python
66 lines
1.9 KiB
Python
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#!/usr/bin/env python3
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'''
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Test 2D Ewald summation consistency for basis VSWFs, using varying values of eta.
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'''
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import sys
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# Test parameters, rather arbitrary
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npoints = 10
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etafactors = [0.9, 1.1]
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zpointmax = 0. if len(sys.argv) == 1 else float(sys.argv[1])
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lattice_basis=[(580e-9,0),(0,580e-9)]
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positions = [(0,0)] # particle positions
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wavevector = [0.,0.,0.]
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bgparam = 1.52
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omega_eh = 2.1
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lMax = 2
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import numpy as np
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from qpms import Particle, CTMatrix, lorentz_drude, EpsMuGenerator, TMatrixGenerator, EwaldPart, BaseSpec, FinitePointGroup, ScatteringSystem, TMatrixInterpolator, EpsMu, dbgmsg_enable, dbgmsg_disable, dbgmsg_active, BesselType,eV, hbar, c
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from qpms.symmetries import point_group_info
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eh = eV/hbar
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np.random.seed(666)
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omega = omega_eh * eh
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bspec = BaseSpec(lMax=lMax)
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medium = EpsMuGenerator(bgparam)
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emg_dummy = EpsMuGenerator(10)
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tmg_dummy = TMatrixGenerator.sphere(medium, emg_dummy, 50e-9)
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particles = [Particle(pos, tmg_dummy, bspec) for pos in positions]
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ss, ssw = ScatteringSystem.create(particles, medium, omega, latticebasis=lattice_basis)
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wavevector = np.array(wavevector)
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sswk = ssw._sswk(wavevector)
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eta_orig = sswk.eta
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print("default eta: %g" % (eta_orig,))
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print("lattice basis:\n", ss.lattice_basis)
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points = (np.random.rand(npoints) - .5)[:,None] * ss.lattice_basis[0] + (np.random.rand(npoints) - .5)[:,None] * ss.lattice_basis[1]
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points += (np.random.rand(npoints) - .5)[:,None] * np.array([0.,0.,zpointmax])
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fields_reference = sswk.scattered_field_basis(points)
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fields = np.empty((len(etafactors),) + fields_reference.shape, dtype=complex)
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fails = 0
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for n, etafactor in enumerate(etafactors):
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sswk.eta = eta_orig * etafactor
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fields[n] = sswk.scattered_field_basis(points)
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print(fields[n])
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print(fields[n]-fields_reference)
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if np.sum(1-np.isclose(fields[n], fields_reference)) > 0:
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fails += 1
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print(fails)
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sys.exit(int(fails))
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