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finitesqlatzsym-scatter.py vital fixes 

Former-commit-id: ae20bd6800803afe386af7230a099c5632a3bf24
This commit is contained in:
Marek Nečada 2017-05-17 11:33:25 +03:00
parent c16e0df2f2
commit 3407b5e47f
1 changed files with 9 additions and 9 deletions
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18
misc/finitesqlatzsym-scatter.py
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@ -129,11 +129,12 @@ if pargs.lMax:
lMax = pargs.lMax if pargs.lMax else lMaxTM lMax = pargs.lMax if pargs.lMax else lMaxTM
my, ny = qpms.get_mn_y(lMax) my, ny = qpms.get_mn_y(lMax)
nelem = len(my) nelem = len(my)
print(TMatrices_orig.shape)
if pargs.lMax: #force commandline specified lMax if pargs.lMax: #force commandline specified lMax
TMatrices_orig = TMatrices_orig[...,0:nelem,:,0:nelem] TMatrices_orig = TMatrices_orig[...,0:nelem,:,0:nelem]
print(TMatrices_orig.shape)
TMatrices = np.array(np.broadcast_to(TMatrices_orig[:,nx,:,:,:,:],(len(freqs_orig),2,2,nelem,2,nelem)) ) TMatrices = np.array(np.broadcast_to(TMatrices_orig[:,nx,:,:,:,:],(len(freqs_orig),unitcell_size,2,nelem,2,nelem)) )
print(TMatrices.shape)
xfl = qpms.xflip_tyty(lMax) xfl = qpms.xflip_tyty(lMax)
yfl = qpms.yflip_tyty(lMax) yfl = qpms.yflip_tyty(lMax)
zfl = qpms.zflip_tyty(lMax) zfl = qpms.zflip_tyty(lMax)
@ -220,6 +221,7 @@ for op in ops:
else: else:
raise #unknown operation; should not happen raise #unknown operation; should not happen
print(TMatrices.shape)
TMatrices_interp = interpolate.interp1d(freqs_orig*interpfreqfactor, TMatrices, axis=0, kind='linear',fill_value="extrapolate") TMatrices_interp = interpolate.interp1d(freqs_orig*interpfreqfactor, TMatrices, axis=0, kind='linear',fill_value="extrapolate")
@ -239,6 +241,7 @@ kz = np.sqrt(k_0 - (kx ** 2 + ky ** 2))
klist_full = np.stack((kx,ky,kz), axis=-1).reshape((-1,3)) klist_full = np.stack((kx,ky,kz), axis=-1).reshape((-1,3))
TMatrices_om = TMatrices_interp(freq) TMatrices_om = TMatrices_interp(freq)
print(TMatrices_om.shape)
chunkn = math.ceil(klist_full.size / 3 / chunklen) chunkn = math.ceil(klist_full.size / 3 / chunklen)
@ -303,7 +306,8 @@ for action in actions:
('.%03d' % chunki) if chunkn > 1 else '') ('.%03d' % chunki) if chunkn > 1 else '')
else: else:
outfile = '%s_%dx%d_%.0fnmx%.0fnm_%.4f%s%s.npz' % ( outfile = '%s_%dx%d_%.0fnmx%.0fnm_%.4f%s%s.npz' % (
pargs.output_prefix, hexside/1e-9, eVfreq, actionstring, pargs.output_prefix, Nx, Ny, dx/1e-9, dy/1e-9,
eVfreq, actionstring,
(".%03d" % cunki) if chunkn > 1 else '') (".%03d" % cunki) if chunkn > 1 else '')
klist = klist_full[chunki * chunklen : (chunki + 1) * chunklen] klist = klist_full[chunki * chunklen : (chunki + 1) * chunklen]
@ -332,13 +336,9 @@ for action in actions:
xresult[i] = scat.scatter_partial(0, pq) xresult[i] = scat.scatter_partial(0, pq)
pq = np.array(qpms.plane_pq_y(lMax, kdir, yu)).ravel()[TEč] * phases[:, nx] pq = np.array(qpms.plane_pq_y(lMax, kdir, yu)).ravel()[TEč] * phases[:, nx]
yresult[i] = scat.scatter_partial(0, pq) yresult[i] = scat.scatter_partial(0, pq)
if action == 1 or action is none: if action == 1 or action is None:
pq = np.array(qpms.plane_pq_y(lMax, kdir, xu)).ravel()[TMč] * phases[:, nx] pq = np.array(qpms.plane_pq_y(lMax, kdir, xu)).ravel()[TMč] * phases[:, nx]
zresult[i] = scat.scatter_partial(1, pq) zresult[i] = scat.scatter_partial(1, pq)
svdres = qpms.hexlattice_zsym_getSVD(lMax=lMax, TMatrices_om=TMatrices_om, epsilon_b=epsilon_b, hexside=hexside, maxlayer=maxlayer,
omega=freq, klist=klist, gaussianSigma=gaussianSigma, onlyNmin=False, verbose=verbose)
#((svUfullTElist, svSfullTElist, svVfullTElist), (svUfullTMlist, svSfullTMlist, svVfullTMlist)) = svdres
metadata[()]['chunki'] = chunki metadata[()]['chunki'] = chunki
if action is None: if action is None: