mirror of
https://github.com/triqs/dft_tools
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78 lines
2.1 KiB
Python
78 lines
2.1 KiB
Python
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################################################################################
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#
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# TRIQS: a Toolbox for Research in Interacting Quantum Systems
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#
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# Copyright (C) 2011 by M. Ferrero, O. Parcollet
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#
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# TRIQS is free software: you can redistribute it and/or modify it under the
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# terms of the GNU General Public License as published by the Free Software
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# Foundation, either version 3 of the License, or (at your option) any later
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# version.
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#
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# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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# details.
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#
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# You should have received a copy of the GNU General Public License along with
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# TRIQS. If not, see <http://www.gnu.org/licenses/>.
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#
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################################################################################
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from pytriqs.archive import *
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from pytriqs.gf.local import *
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import numpy, copy
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h=HDFArchive('gf_base_op.output.h5','w')
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ga = GfImFreq(indices = [1,2], beta = 50, n_points = 100, name = "a1Block")
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gb = GfImFreq(indices = [1,2], beta = 50, n_points = 100, name = "b1Block")
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G = BlockGf(name_list = ('a','b'), block_list = (ga,gb), make_copies = False)
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G <<= iOmega_n + 2.0
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h['G1'] = G
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# inverse:
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G <<= inverse(G)
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# Density:
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dens = G.total_density()
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h['dens'] = dens
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# FT:
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f = lambda g,L : GfImTime(indices = g.indices, beta = g.mesh.beta, n_points =L )
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gt = BlockGf(name_block_generator = [ (n,f(g,200) ) for n,g in G], make_copies=False, name='gt')
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for (i,gtt) in gt : gtt.set_from_inverse_fourier(G[i])
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h['gt'] = gt
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# Matrix operations:
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ga2 = GfImFreq(indices = [1,2,3], beta = 50, n_points = 100, name = "a1Block")
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mat = numpy.array([[1.0,0.0,1.0],[-1.0,1.0,0.0]], numpy.complex)
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ga2.from_L_G_R(mat.transpose(),ga,mat)
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h['ga2'] = ga2
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# conjugate:
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Gc = G.conjugate()
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h['Gc'] = Gc
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# Some tail stuff:
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tailtempl={}
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for sig,g in G:
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tailtempl[sig] = copy.deepcopy(g.tail)
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h['tt'] = tailtempl
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# tranpose
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g = G['a']
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gt = G['a'].transpose()
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gt.data[3,0,1] = 100
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assert g.data[3,1,0] == 100
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del h
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