mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 12:23:41 +01:00
46 lines
1.1 KiB
Plaintext
46 lines
1.1 KiB
Plaintext
* realfreq --> w?
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* matsubara --> iw?
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Changed the following:
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* <<= --> <<
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* retval -> read_value
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* Gupf -> G_upfold
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* read_symmetry_input -> convert_symmetry_input
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**********
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* changed default h5 subgroup names
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SumK_LDA -> dft_input
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dft_band_input
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SymmCorr -> dft_symmcorr_input
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SumK_LDA_ParProj -> dft_parproj_input
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SymmPar -> dft_symmpar_input
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def __init__(self, filename, lda_subgrp = 'SumK_LDA', symm_subgrp = 'SymmCorr', repacking = False):
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-->
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def __init__(self, filename, lda_subgrp = 'dft_input', symm_subgrp = 'dft_symm_input', repacking = False):
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declare all groupnames in init
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symm_subgrp -> symmcorr_subgrp
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symm_par_subgrp -> symmpar_subgrp
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par_proj_subgrp -> parproj_subgrp
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symm_data -> symmcorr_data
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par_proj_data -> parproj_data
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symm_par_data -> symmpar_data
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**********
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* moved find_dc, find_mu_nonint, check_projectors, sorts_of_atoms,
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number_of_atoms to end, not to be documented.
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* replaced all instances of
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exec "self.%s = mpi.bcast(self.%s)"%(it,it)
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with
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setattr(self,it,mpi.bcast(getattr(self,it))
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* replaced long archive saves in converters by setattr construction
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* removed G_upfolded_id -- looked redundant
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