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c202286341
* elk-transport * minor updates * specify explicitly fortran compiler and python exe in CMAKE Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
25 lines
678 B
Python
25 lines
678 B
Python
import os
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from h5 import *
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from triqs.utility.comparison_tests import *
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from triqs.utility.h5diff import h5diff
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import triqs.utility.mpi as mpi
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from triqs_dft_tools.converters import ElkConverter
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#get current working directory path
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cwd = format(os.getcwd())
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#location of test directory
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testdir = cwd+'/elk_transport_convert'
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#change to test directory
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os.chdir(testdir)
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Converter = ElkConverter(filename='SrVO3', repacking=True)
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Converter.hdf_file = 'elk_transport_convert.out.h5'
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Converter.convert_dft_input()
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Converter.convert_transport_input()
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if mpi.is_master_node():
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h5diff('elk_transport_convert.out.h5','elk_transport_convert.ref.h5')
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#return to cwd
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os.chdir(cwd)
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