mirror of
https://github.com/triqs/dft_tools
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37 lines
1.3 KiB
Python
37 lines
1.3 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. Aichhorn, L. Pourovskii, V. Vildosola
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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.applications.dft.converters import Wien2kConverter
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from pytriqs.utility.comparison_tests import *
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from pytriqs.utility.h5diff import h5diff
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import pytriqs.utility.mpi as mpi
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Converter = Wien2kConverter(filename='SrVO3')
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Converter.hdf_file = 'wien2k_convert.out.h5'
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Converter.convert_dft_input()
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Converter.convert_parproj_input()
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if mpi.is_master_node():
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h5diff('wien2k_convert.out.h5','wien2k_convert.ref.h5')
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