Faster versions of hexpoint calculations (work in progress)
Former-commit-id: 44a7ed6419a966e2d71c258953d1d01dc0ed87ab
This commit is contained in:
Marek Nečada
parent
2149a9ca71
commit
0643ff4b3e
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@ -28,8 +28,8 @@ omega = omega_eV * eV / hbar
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k_0 = omega * math.sqrt(epsilon_b) / c
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output_prefix = './diracpoints-newdata/%d/' % maxlayer
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output_prefix = '/tmp/diracpoints-newdata2/%d/' % maxlayer
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os.makedirs(output_prefix, exist_ok=True)
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qpms.hexlattice_precalc_AB_save(file=output_prefix+str(omega_eV), lMax=lMax, k_hexside=k_0*hexside,
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qpms.hexlattice_precalc_AB_save3(file=output_prefix+str(omega_eV), lMax=lMax, k_hexside=k_0*hexside,
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maxlayer=maxlayer, savepointinfo=True)
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@ -169,9 +169,141 @@ def generate_trianglepoints_hexcomplement(maxlayer, v3d = True, circular = True,
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}
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from qpms_c import get_mn_y
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from qpms_c import get_mn_y, trans_calculator
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from .qpms_p import Ã, B̃, cart2sph
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def hexlattice_precalc_AB_save2(file, lMax, k_hexside, maxlayer, circular=True, savepointinfo = False, J_scat=3):
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params = {
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'lMax' : lMax,
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'k_hexside' : k_hexside,
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'maxlayer' : maxlayer,
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'circular' : circular,
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'savepointinfo' : savepointinfo,
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'J_scat' : J_scat
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}
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tpdict = generate_trianglepoints(maxlayer, v3d=True, circular=circular, sixthindices=True, mirrorindices=True)
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tphcdict = generate_trianglepoints_hexcomplement(maxlayer, v3d=True, circular=circular, thirdindices=True, mirrorindices=True)
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my, ny = get_mn_y(lMax)
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nelem = len(my)
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a_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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b_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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a_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
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b_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
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a_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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b_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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a_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
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b_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
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k_0 = k_hexside*_s3 # not really a wave vector here because of the normalisation!
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tc = trans_calculator(lMax)
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y = np.arange(nelem)
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points = tpdict['points'][tpdict['nmi']]
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d_i2j = cart2sph(points)
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a_self_nm, b_self_nm = tc.get_AB(my[nx,:,nx],ny[nx,:,nx],my[nx,nx,:],ny[nx,nx,:],k_0*d_i2j[:,nx,nx,0],d_i2j[:,nx,nx,1],d_i2j[:,nx,nx,2],False,J_scat)
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points = tpdict['points'][tpdict['mi'][0]]
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d_i2j = cart2sph(points)
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a_self_m0, b_self_m0 = tc.get_AB(my[nx,:,nx],ny[nx,:,nx],my[nx,nx,:],ny[nx,nx,:],k_0*d_i2j[:,nx,nx,0],d_i2j[:,nx,nx,1],d_i2j[:,nx,nx,2],False,J_scat)
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points = tphcdict['points'][tphcdict['nmi']]
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d_i2j = cart2sph(points)
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a_d2u_nm, b_d2u_nm = tc.get_AB(my[nx,:,nx],ny[nx,:,nx],my[nx,nx,:],ny[nx,nx,:],k_0*d_i2j[:,nx,nx,0],d_i2j[:,nx,nx,1],d_i2j[:,nx,nx,2],False,J_scat)
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points = tphcdict['points'][tphcdict['mi'][0]]
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d_i2j = cart2sph(points)
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a_d2u_m0, b_d2u_m0 = tc.get_AB(my[nx,:,nx],ny[nx,:,nx],my[nx,nx,:],ny[nx,nx,:],k_0*d_i2j[:,nx,nx,0],d_i2j[:,nx,nx,1],d_i2j[:,nx,nx,2],False,J_scat)
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tosave = {
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'a_self_nm' : a_self_nm,
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'a_self_m0' : a_self_m0,
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'b_self_nm' : b_self_nm,
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'b_self_m0' : b_self_m0,
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'a_d2u_nm' : a_d2u_nm,
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'a_d2u_m0' : a_d2u_m0,
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'b_d2u_nm' : b_d2u_nm,
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'b_d2u_m0' : b_d2u_m0,
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'precalc_params' : params
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}
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if savepointinfo:
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tosave['tp_points'] = tpdict['points'],
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tosave['tp_si'] = tpdict['si'],
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tosave['tp_mi'] = tpdict['mi'],
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tosave['tp_nmi'] = tpdict['nmi']
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tosave['tphc_points'] = tphcdict['points'],
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tosave['tphc_ti'] = tphcdict['ti'],
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tosave['tphc_mi'] = tphcdict['mi'],
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tosave['tphc_nmi'] = tphcdict['nmi']
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np.savez(file, **tosave)
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def hexlattice_precalc_AB_save3(file, lMax, k_hexside, maxlayer, circular=True, savepointinfo = False, J_scat=3):
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params = {
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'lMax' : lMax,
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'k_hexside' : k_hexside,
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'maxlayer' : maxlayer,
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'circular' : circular,
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'savepointinfo' : savepointinfo,
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'J_scat' : J_scat
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}
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tpdict = generate_trianglepoints(maxlayer, v3d=True, circular=circular, sixthindices=True, mirrorindices=True)
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tphcdict = generate_trianglepoints_hexcomplement(maxlayer, v3d=True, circular=circular, thirdindices=True, mirrorindices=True)
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my, ny = get_mn_y(lMax)
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nelem = len(my)
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a_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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b_self_nm = np.empty((tpdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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a_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
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b_self_m0 = np.empty((tpdict['mi'].shape[1],nelem,nelem), dtype=complex)
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a_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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b_d2u_nm = np.empty((tphcdict['nmi'].shape[0],nelem,nelem), dtype=complex)
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a_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
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b_d2u_m0 = np.empty((tphcdict['mi'].shape[1],nelem,nelem), dtype=complex)
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k_0 = k_hexside*_s3 # not really a wave vector here because of the normalisation!
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tc = trans_calculator(lMax)
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y = np.arange(nelem)
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points = tpdict['points'][tpdict['nmi']]
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d_i2j = cart2sph(points)
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a_self_nm, b_self_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
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points = tpdict['points'][tpdict['mi'][0]]
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d_i2j = cart2sph(points)
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a_self_m0, b_self_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
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points = tphcdict['points'][tphcdict['nmi']]
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d_i2j = cart2sph(points)
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a_d2u_nm, b_d2u_nm = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
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points = tphcdict['points'][tphcdict['mi'][0]]
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d_i2j = cart2sph(points)
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a_d2u_m0, b_d2u_m0 = tc.get_AB_arrays(k_0*d_i2j[:,0],d_i2j[:,1],d_i2j[:,2],np.array([False]),J_scat)
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tosave = {
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'a_self_nm' : a_self_nm,
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'a_self_m0' : a_self_m0,
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'b_self_nm' : b_self_nm,
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'b_self_m0' : b_self_m0,
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'a_d2u_nm' : a_d2u_nm,
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'a_d2u_m0' : a_d2u_m0,
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'b_d2u_nm' : b_d2u_nm,
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'b_d2u_m0' : b_d2u_m0,
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'precalc_params' : params
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}
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if savepointinfo:
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tosave['tp_points'] = tpdict['points'],
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tosave['tp_si'] = tpdict['si'],
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tosave['tp_mi'] = tpdict['mi'],
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tosave['tp_nmi'] = tpdict['nmi']
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tosave['tphc_points'] = tphcdict['points'],
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tosave['tphc_ti'] = tphcdict['ti'],
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tosave['tphc_mi'] = tphcdict['mi'],
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tosave['tphc_nmi'] = tphcdict['nmi']
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np.savez(file, **tosave)
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def hexlattice_precalc_AB_save(file, lMax, k_hexside, maxlayer, circular=True, savepointinfo = False, J_scat=3):
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params = {
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'lMax' : lMax,
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