Add yflip possibility to symmetries.py, piecewise loading of Wdata
Former-commit-id: 2b35cdc1fcf45a56fe5bd5214d4a6e9dc40f3d73
This commit is contained in:
Marek Nečada
parent
8507b09332
commit
c3e234b892
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@ -880,8 +880,24 @@ def processWfiles_sameKs(freqfilenames, destfilename, lMax = None, f='npz'):
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return
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def loadWfile_info(fileName, lMax = None, midk_halfwidth = None, freqlimits = None):
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"""
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Returns all the relevant data from the W file except for the W values themselves
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"""
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slovnik = loadWfile_processed(fileName, lMax = lMax, fatForm = False, midk_halfwidth=midk_halfwidth, freqlimits=freqlimits)
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slovnik['Ws'] = None
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return slovnik
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def loadWfile_processed(fileName, lMax = None, fatForm = True, midk_halfwidth = None):
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def loadWfile_processed(fileName, lMax = None, fatForm = True, midk_halfwidth = None, freqlimits = None, iteratechunk = None):
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"""
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midk_halfwidth: int
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if given, takes only the "middle" k-value by index nk//2 and midk_halfwidth values from both sides
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freqlimit: pair of doubles;
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if given, only the values from the given frequency range (in Hz) are returned to save RAM
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N.B.: the frequencies in the processed file are expected to be sorted!
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iteratechunk: positive int ; NI
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if given, this works as a generator with only iteratechunk frequencies processed and returned at each iteration to save memory
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"""
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if os.path.isdir(fileName): # .npy files in a directory
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p = fileName
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j = os.path.join
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@ -919,6 +935,16 @@ def loadWfile_processed(fileName, lMax = None, fatForm = True, midk_halfwidth =
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else:
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lMax = data['lMax'][()]
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nelem = lMax2nelem(lMax)
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if freqlimits is not None:
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minind = np.searchsorted(freqs, freqlimits[0], size='left')
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maxind = np.searchsorted(freqs, freqlimits[1], size='right')
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freqs = freqs[minind:maxind]
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Ws = Ws[minind:maxind]
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k0s = k0s[minind:maxind]
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EeVs_orig = EeVs_orig[minind:maxind]
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freqs_weirdunints = freqs_weirdunits[minint:maxind]
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nfreqs = maxind-minind
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if iteratechunk is None: # everyting at once
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if fatForm: #indices: (...,) destparticle, desttype, desty, srcparticle, srctype, srcy
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Ws2 = np.moveaxis(Ws, [-5,-4,-3,-2,-1], [-4,-2,-5,-3,-1] )
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fatWs = np.empty(Ws2.shape[:-5]+(nparticles, 2,nelem, nparticles, 2, nelem),dtype=complex)
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@ -940,5 +966,37 @@ def loadWfile_processed(fileName, lMax = None, fatForm = True, midk_halfwidth =
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'ks': ks,
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'Ws': Ws,
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}
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else:
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def gen(lMax, nelem, nparticles, nfreqs, nk, freqs, freqs_weirdunits, EeVs_orig, k0s, ks, Ws, iteratechunk):
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starti = 0
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while(starti < nfreqs):
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stopi = min(starti+iteratechunk, nfreqs)
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chunkWs = Ws[starti:stopi]
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if fatForm: #indices: (...,) destparticle, desttype, desty, srcparticle, srctype, srcy
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Ws2 = np.moveaxis(chunkWs, [-5,-4,-3,-2,-1], [-4,-2,-5,-3,-1] )
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fatWs = np.empty(Ws2.shape[:-5]+(nparticles, 2,nelem, nparticles, 2, nelem),dtype=complex)
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fatWs[...,:,0,:,:,0,:] = Ws2[...,0,:,:,:,:] #A
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fatWs[...,:,1,:,:,1,:] = Ws2[...,0,:,:,:,:] #A
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fatWs[...,:,1,:,:,0,:] = Ws2[...,1,:,:,:,:] #B
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fatWs[...,:,0,:,:,1,:] = Ws2[...,1,:,:,:,:] #B
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chunkWs = fatWs
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yield {
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'lMax': lMax,
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'nelem': nelem,
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'npart': nparticles,
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'nfreqs': stopi-starti,
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'nk' : nk,
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'freqs': freqs[starti:stopi],
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'freqs_weirdunits': freqs_weirdunits[starti:stopi],
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'EeVs_orig': EeVs_orig[starti:stopi],
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'k0s': k0s[starti:stopi],
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'ks': ks,
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'Ws': chunkWs,
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'chunk_range': (starti, stopi),
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'nfreqs_total': nfreqs
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}
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starti += iteratechunk
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return gen(lMax, nelem, nparticles, nfreqs, nk, freqs, freqs_weirdunits, EeVs_orig, k0s, ks, Ws, iteratechunk)
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@ -77,7 +77,7 @@ def mmult_ptypty(a, b):
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return(qpms.apply_ndmatrix_left(a, b, (-6,-5,-4)))
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#TODO lepší název fce
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def gen_point_D3h_svwf_rep(lMax):
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def gen_point_D3h_svwf_rep(lMax, vflip = 'x'):
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'''
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Gives the projection operators $P_kl('\Gamma')$ from Dresselhaus (4.28)
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for all irreps $\Gamma$ of D3h.;
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@ -89,11 +89,12 @@ def gen_point_D3h_svwf_rep(lMax):
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C3_yy = qpms.WignerD_yy_fromvector(lMax, np.array([0,0,2*pi/3]))
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C3_tyty = np.moveaxis(np.eye(2)[:,:,ň,ň] * C3_yy, 2,1)
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zfl_tyty = qpms.zflip_tyty(lMax)
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yfl_tyty = qpms.yflip_tyty(lMax)
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xfl_tyty = qpms.xflip_tyty(lMax)
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#yfl_tyty = qpms.yflip_tyty(lMax)
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#xfl_tyty = qpms.xflip_tyty(lMax)
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vfl_tyty = qpms.yflip_tyty(lMax) if vflip == 'y' else qpms.xflip_tyty(lMax)
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I_tyty = np.moveaxis(np.eye(2)[:,:,ň,ň] * np.eye(nelem), 2,1)
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order = D3h_permgroup.order()
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sphrep_full = generate_grouprep(D3h_permgroup, I_tyty, D3h_srcgens, [C3_tyty, xfl_tyty, zfl_tyty],
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sphrep_full = generate_grouprep(D3h_permgroup, I_tyty, D3h_srcgens, [C3_tyty, vfl_tyty, zfl_tyty],
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immultop = mmult_tyty, imcmp = np.allclose)
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sphreps = dict()
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for repkey, matrixrep in D3h_irreps.items():
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@ -118,21 +119,23 @@ def gen_point_D3h_svwf_rep(lMax):
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sphreps[repkey] = sphrep
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return sphreps
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def gen_hexlattice_Kpoint_svwf_rep(lMax, psi):
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def gen_hexlattice_Kpoint_svwf_rep(lMax, psi, vflip = 'x'):
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my, ny = qpms.get_mn_y(lMax)
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nelem = len(my)
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C3_yy = qpms.WignerD_yy_fromvector(lMax, np.array([0,0,2*pi/3]))
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C3_tyty = np.moveaxis(np.eye(2)[:,:,ň,ň] * C3_yy, 2,1)
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zfl_tyty = qpms.zflip_tyty(lMax)
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yfl_tyty = qpms.yflip_tyty(lMax)
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xfl_tyty = qpms.xflip_tyty(lMax)
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#yfl_tyty = qpms.yflip_tyty(lMax)
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#xfl_tyty = qpms.xflip_tyty(lMax)
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vfl_tyty = qpms.yflip_tyty(lMax) if vflip == 'y' else qpms.xflip_tyty(lMax)
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I_tyty = np.moveaxis(np.eye(2)[:,:,ň,ň] * np.eye(nelem), 2,1)
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hex_C3_K_ptypty = np.diag([exp(-psi*1j*2*pi/3),exp(+psi*1j*2*pi/3)])[:,ň,ň,:,ň,ň] * C3_tyty[ň,:,:,ň,:,:]
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hex_zfl_ptypty = np.eye(2)[:,ň,ň,:,ň,ň] * zfl_tyty[ň,:,:,ň,:,:]
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hex_xfl_ptypty = np.array([[0,1],[1,0]])[:,ň,ň,:,ň,ň] * xfl_tyty[ň,:,:,ň,:,:]
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#hex_xfl_ptypty = np.array([[0,1],[1,0]])[:,ň,ň,:,ň,ň] * xfl_tyty[ň,:,:,ň,:,:]
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hex_vfl_ptypty = np.array([[0,1],[1,0]])[:,ň,ň,:,ň,ň] * vfl_tyty[ň,:,:,ň,:,:]
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hex_I_ptypty = np.eye((2*2*nelem)).reshape((2,2,nelem,2,2,nelem))
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order = D3h_permgroup.order()
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hex_K_sphrep_full = generate_grouprep(D3h_permgroup, hex_I_ptypty, D3h_srcgens, [hex_C3_K_ptypty, hex_xfl_ptypty, hex_zfl_ptypty],
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hex_K_sphrep_full = generate_grouprep(D3h_permgroup, hex_I_ptypty, D3h_srcgens, [hex_C3_K_ptypty, hex_vfl_ptypty, hex_zfl_ptypty],
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immultop = mmult_ptypty, imcmp = np.allclose)
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hex_K_sphreps = dict()
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for repkey, matrixrep in D3h_irreps.items():
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@ -163,12 +166,12 @@ def normalize(v):
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return v*np.nan
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return v / norm
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def gen_hexlattice_Kpoint_svwf_rep_projectors(lMax,psi, do_bases = False):
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def gen_hexlattice_Kpoint_svwf_rep_projectors(lMax, psi, vflip='x', do_bases=False):
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nelem = lMax * (lMax+2)
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projectors = dict()
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if do_bases:
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bases = dict()
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for repi, W in gen_hexlattice_Kpoint_svwf_rep(lMax,psi).items():
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for repi, W in gen_hexlattice_Kpoint_svwf_rep(lMax,psi,vflip=vflip).items():
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totalvecs = 0
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tmplist = list()
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for p in (0,1):
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