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default input file names in the Fleur converter changed
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@ -40,8 +40,10 @@ class FleurConverter(ConverterTools):
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assert type(filename)==StringType, "Please provide the DFT files' base name as a string."
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assert type(filename)==StringType, "Please provide the DFT files' base name as a string."
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if hdf_filename is None: hdf_filename = filename
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if hdf_filename is None: hdf_filename = filename
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self.hdf_file = hdf_filename+'.h5'
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self.hdf_file = hdf_filename+'.h5'
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self.dft_file = filename+'.ctqmcout'
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#self.dft_file = filename+'.ctqmcout'
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self.parproj_file = filename+'.parproj'
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#self.parproj_file = filename+'.parproj'
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self.dft_file = 'ctqmcout'
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self.parproj_file = 'parproj'
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self.dft_subgrp = dft_subgrp
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self.dft_subgrp = dft_subgrp
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self.parproj_subgrp = parproj_subgrp
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self.parproj_subgrp = parproj_subgrp
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self.fortran_to_replace = {'D':'E'}
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self.fortran_to_replace = {'D':'E'}
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