mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 12:03:50 +01:00
spectral routines update 2
This commit is contained in:
Alyn James
parent
d4b43ff9f8
commit
df7e3958af
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triqs\_dft\_tools.block\_structure.BlockStructure.\_\_init\_\_
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==============================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.__init__
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triqs\_dft\_tools.block\_structure.BlockStructure.adapt\_deg\_shells
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====================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.adapt_deg_shells
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triqs\_dft\_tools.block\_structure.BlockStructure.approximate\_as\_diagonal
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===========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.approximate_as_diagonal
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triqs\_dft\_tools.block\_structure.BlockStructure.check\_gf
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===========================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.check_gf
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triqs\_dft\_tools.block\_structure.BlockStructure.check\_matrix
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===============================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.check_matrix
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triqs\_dft\_tools.block\_structure.BlockStructure.convert\_gf
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=============================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.convert_gf
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triqs\_dft\_tools.block\_structure.BlockStructure.convert\_matrix
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=================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.convert_matrix
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triqs\_dft\_tools.block\_structure.BlockStructure.convert\_operator
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===================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.convert_operator
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triqs\_dft\_tools.block\_structure.BlockStructure.copy
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======================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.copy
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triqs\_dft\_tools.block\_structure.BlockStructure.create\_gf
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============================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.create_gf
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triqs\_dft\_tools.block\_structure.BlockStructure.create\_matrix
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================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.create_matrix
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triqs\_dft\_tools.block\_structure.BlockStructure.effective\_transformation\_solver
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===================================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.effective_transformation_solver
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triqs\_dft\_tools.block\_structure.BlockStructure.effective\_transformation\_sumk
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=================================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.effective_transformation_sumk
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triqs\_dft\_tools.block\_structure.BlockStructure.full\_structure
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=================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.full_structure
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triqs\_dft\_tools.block\_structure.BlockStructure.gf\_struct\_solver\_dict
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==========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.gf_struct_solver_dict
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triqs\_dft\_tools.block\_structure.BlockStructure.gf\_struct\_solver\_list
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==========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.gf_struct_solver_list
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triqs\_dft\_tools.block\_structure.BlockStructure.gf\_struct\_sumk\_dict
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========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.gf_struct_sumk_dict
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triqs\_dft\_tools.block\_structure.BlockStructure.gf\_struct\_sumk\_list
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========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.gf_struct_sumk_list
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triqs\_dft\_tools.block\_structure.BlockStructure.inequiv\_to\_corr
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===================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.inequiv_to_corr
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triqs\_dft\_tools.block\_structure.BlockStructure.map\_gf\_struct\_solver
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=========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.map_gf_struct_solver
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triqs\_dft\_tools.block\_structure.BlockStructure.pick\_gf\_struct\_solver
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==========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.pick_gf_struct_solver
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triqs\_dft\_tools.block\_structure.BlockStructure.pick\_gf\_struct\_sumk
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========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. automethod:: BlockStructure.pick_gf_struct_sumk
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triqs\_dft\_tools.block\_structure.BlockStructure
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=================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoclass:: BlockStructure
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.. rubric:: Methods
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.. autosummary::
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:toctree:
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~BlockStructure.__init__
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~BlockStructure.adapt_deg_shells
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~BlockStructure.approximate_as_diagonal
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~BlockStructure.check_gf
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~BlockStructure.check_matrix
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~BlockStructure.convert_gf
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~BlockStructure.convert_matrix
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~BlockStructure.convert_operator
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~BlockStructure.copy
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~BlockStructure.create_gf
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~BlockStructure.create_matrix
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~BlockStructure.full_structure
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~BlockStructure.map_gf_struct_solver
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~BlockStructure.pick_gf_struct_solver
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~BlockStructure.pick_gf_struct_sumk
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.. rubric:: Attributes
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.. autosummary::
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:toctree:
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~BlockStructure.effective_transformation_solver
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~BlockStructure.effective_transformation_sumk
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~BlockStructure.gf_struct_solver_dict
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~BlockStructure.gf_struct_solver_list
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~BlockStructure.gf_struct_sumk_dict
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~BlockStructure.gf_struct_sumk_list
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~BlockStructure.inequiv_to_corr
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~BlockStructure.sumk_to_solver_block
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triqs\_dft\_tools.block\_structure.BlockStructure.sumk\_to\_solver\_block
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=========================================================================
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.. currentmodule:: triqs_dft_tools.block_structure
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.. autoproperty:: BlockStructure.sumk_to_solver_block
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block\_structure
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================
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.. automodule:: triqs_dft_tools.block_structure
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.. rubric:: Classes
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.. autosummary::
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:toctree:
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:template: autosummary_class_template.rst
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BlockStructure
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triqs\_dft\_tools.converters.converter\_tools.ConverterTools.\_\_init\_\_
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=========================================================================
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.. currentmodule:: triqs_dft_tools.converters.converter_tools
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.. automethod:: ConverterTools.__init__
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triqs\_dft\_tools.converters.converter\_tools.ConverterTools.det\_shell\_equivalence
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====================================================================================
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.. currentmodule:: triqs_dft_tools.converters.converter_tools
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.. automethod:: ConverterTools.det_shell_equivalence
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triqs\_dft\_tools.converters.converter\_tools.ConverterTools.read\_fortran\_file
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================================================================================
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.. currentmodule:: triqs_dft_tools.converters.converter_tools
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.. automethod:: ConverterTools.read_fortran_file
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triqs\_dft\_tools.converters.converter\_tools.ConverterTools.repack
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===================================================================
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.. currentmodule:: triqs_dft_tools.converters.converter_tools
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.. automethod:: ConverterTools.repack
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triqs\_dft\_tools.converters.converter\_tools.ConverterTools
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============================================================
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.. currentmodule:: triqs_dft_tools.converters.converter_tools
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.. autoclass:: ConverterTools
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.. rubric:: Methods
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.. autosummary::
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:toctree:
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~ConverterTools.__init__
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~ConverterTools.det_shell_equivalence
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~ConverterTools.read_fortran_file
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~ConverterTools.repack
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converter\_tools
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================
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.. automodule:: triqs_dft_tools.converters.converter_tools
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.. rubric:: Classes
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.. autosummary::
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:toctree:
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:template: autosummary_class_template.rst
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ConverterTools
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triqs\_dft\_tools.converters.elk.ElkConverter.\_\_init\_\_
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==========================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.__init__
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triqs\_dft\_tools.converters.elk.ElkConverter.axangsu2
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======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.axangsu2
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triqs\_dft\_tools.converters.elk.ElkConverter.bzfoldout
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=======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.bzfoldout
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triqs\_dft\_tools.converters.elk.ElkConverter.check\_dens
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=========================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.check_dens
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triqs\_dft\_tools.converters.elk.ElkConverter.convert\_bands\_input
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===================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.convert_bands_input
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triqs\_dft\_tools.converters.elk.ElkConverter.convert\_contours\_input
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======================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.convert_contours_input
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triqs\_dft\_tools.converters.elk.ElkConverter.convert\_dft\_input
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=================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.convert_dft_input
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triqs\_dft\_tools.converters.elk.ElkConverter.convert\_transport\_input
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=======================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.convert_transport_input
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triqs\_dft\_tools.converters.elk.ElkConverter.det\_shell\_equivalence
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=====================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.det_shell_equivalence
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triqs\_dft\_tools.converters.elk.ElkConverter.determine\_T
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==========================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.determine_T
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triqs\_dft\_tools.converters.elk.ElkConverter.determine\_rep
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============================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.determine_rep
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triqs\_dft\_tools.converters.elk.ElkConverter.gen\_perm
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=======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.gen_perm
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triqs\_dft\_tools.converters.elk.ElkConverter.plotpt3d
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======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.plotpt3d
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_eig
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=======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_eig
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_elk\_file
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=============================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_elk_file
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_elk\_file2
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==============================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_elk_file2
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_fortran\_file
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=================================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_fortran_file
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_geometry
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============================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_geometry
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_kpoints
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===========================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_kpoints
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_proj
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========================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_proj
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triqs\_dft\_tools.converters.elk.ElkConverter.read\_projector
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=============================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.read_projector
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triqs\_dft\_tools.converters.elk.ElkConverter.readlat
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=====================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.readlat
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triqs\_dft\_tools.converters.elk.ElkConverter.readsym
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=====================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.readsym
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@ -1,6 +0,0 @@
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triqs\_dft\_tools.converters.elk.ElkConverter.repack
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====================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.repack
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@ -1,6 +0,0 @@
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triqs\_dft\_tools.converters.elk.ElkConverter.rotaxang
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======================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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.. automethod:: ElkConverter.rotaxang
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@ -1,6 +0,0 @@
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triqs\_dft\_tools.converters.elk.ElkConverter.rotsym
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====================================================
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.. currentmodule:: triqs_dft_tools.converters.elk
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|
||||
.. automethod:: ElkConverter.rotsym
|
||||
@ -1,55 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter
|
||||
=============================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. autoclass:: ElkConverter
|
||||
|
||||
|
||||
|
||||
.. rubric:: Methods
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
~ElkConverter.__init__
|
||||
~ElkConverter.axangsu2
|
||||
~ElkConverter.bzfoldout
|
||||
~ElkConverter.check_dens
|
||||
~ElkConverter.convert_bands_input
|
||||
~ElkConverter.convert_contours_input
|
||||
~ElkConverter.convert_dft_input
|
||||
~ElkConverter.convert_transport_input
|
||||
~ElkConverter.det_shell_equivalence
|
||||
~ElkConverter.determine_T
|
||||
~ElkConverter.determine_rep
|
||||
~ElkConverter.gen_perm
|
||||
~ElkConverter.plotpt3d
|
||||
~ElkConverter.read_eig
|
||||
~ElkConverter.read_elk_file
|
||||
~ElkConverter.read_elk_file2
|
||||
~ElkConverter.read_fortran_file
|
||||
~ElkConverter.read_geometry
|
||||
~ElkConverter.read_kpoints
|
||||
~ElkConverter.read_proj
|
||||
~ElkConverter.read_projector
|
||||
~ElkConverter.readlat
|
||||
~ElkConverter.readsym
|
||||
~ElkConverter.repack
|
||||
~ElkConverter.rotaxang
|
||||
~ElkConverter.rotsym
|
||||
~ElkConverter.sort_dft_eigvalues
|
||||
~ElkConverter.split_string
|
||||
~ElkConverter.split_string2
|
||||
~ElkConverter.split_string3
|
||||
~ElkConverter.symlat_to_complex_harmonics
|
||||
~ElkConverter.update_so_quatities
|
||||
~ElkConverter.v3frac
|
||||
~ElkConverter.ylmrot
|
||||
~ElkConverter.ylmroty
|
||||
~ElkConverter.zyz_euler
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.sort\_dft\_eigvalues
|
||||
==================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.sort_dft_eigvalues
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.split\_string
|
||||
===========================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.split_string
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.split\_string2
|
||||
============================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.split_string2
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.split\_string3
|
||||
============================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.split_string3
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.symlat\_to\_complex\_harmonics
|
||||
============================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.symlat_to_complex_harmonics
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.update\_so\_quatities
|
||||
===================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.update_so_quatities
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.v3frac
|
||||
====================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.v3frac
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.ylmrot
|
||||
====================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.ylmrot
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.ylmroty
|
||||
=====================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.ylmroty
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elk.ElkConverter.zyz\_euler
|
||||
========================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
.. automethod:: ElkConverter.zyz_euler
|
||||
@ -1,32 +0,0 @@
|
||||
elk
|
||||
===
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.elk
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
.. rubric:: Classes
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
:template: autosummary_class_template.rst
|
||||
|
||||
ElkConverter
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.\_\_init\_\_
|
||||
==========================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.__init__
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.axangsu2
|
||||
======================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.axangsu2
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.bzfoldout
|
||||
=======================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.bzfoldout
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.gen\_perm
|
||||
=======================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.gen_perm
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.plotpt3d
|
||||
======================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.plotpt3d
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.rotaxang
|
||||
======================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.rotaxang
|
||||
@ -1,30 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools
|
||||
=============================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. autoclass:: ElkConverterTools
|
||||
|
||||
|
||||
|
||||
.. rubric:: Methods
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
~ElkConverterTools.__init__
|
||||
~ElkConverterTools.axangsu2
|
||||
~ElkConverterTools.bzfoldout
|
||||
~ElkConverterTools.gen_perm
|
||||
~ElkConverterTools.plotpt3d
|
||||
~ElkConverterTools.rotaxang
|
||||
~ElkConverterTools.symlat_to_complex_harmonics
|
||||
~ElkConverterTools.v3frac
|
||||
~ElkConverterTools.ylmrot
|
||||
~ElkConverterTools.ylmroty
|
||||
~ElkConverterTools.zyz_euler
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.symlat\_to\_complex\_harmonics
|
||||
============================================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.symlat_to_complex_harmonics
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.v3frac
|
||||
====================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.v3frac
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.ylmrot
|
||||
====================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.ylmrot
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.ylmroty
|
||||
=====================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.ylmroty
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.elktools.elk\_converter\_tools.ElkConverterTools.zyz\_euler
|
||||
========================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
.. automethod:: ElkConverterTools.zyz_euler
|
||||
@ -1,32 +0,0 @@
|
||||
elk\_converter\_tools
|
||||
=====================
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
.. rubric:: Classes
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
:template: autosummary_class_template.rst
|
||||
|
||||
ElkConverterTools
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,24 +0,0 @@
|
||||
readElkfiles
|
||||
============
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.elktools.readElkfiles
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,35 +0,0 @@
|
||||
elktools
|
||||
========
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.elktools
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
.. rubric:: Modules
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
:template: autosummary_module_template.rst
|
||||
:recursive:
|
||||
|
||||
|
||||
triqs_dft_tools.converters.elktools.elk_converter_tools
|
||||
triqs_dft_tools.converters.elktools.readElkfiles
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter.\_\_init\_\_
|
||||
========================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. automethod:: HkConverter.__init__
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter.convert\_dft\_input
|
||||
===============================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. automethod:: HkConverter.convert_dft_input
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter.det\_shell\_equivalence
|
||||
===================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. automethod:: HkConverter.det_shell_equivalence
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter.read\_fortran\_file
|
||||
===============================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. automethod:: HkConverter.read_fortran_file
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter.repack
|
||||
==================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. automethod:: HkConverter.repack
|
||||
@ -1,24 +0,0 @@
|
||||
triqs\_dft\_tools.converters.hk.HkConverter
|
||||
===========================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
.. autoclass:: HkConverter
|
||||
|
||||
|
||||
|
||||
.. rubric:: Methods
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
~HkConverter.__init__
|
||||
~HkConverter.convert_dft_input
|
||||
~HkConverter.det_shell_equivalence
|
||||
~HkConverter.read_fortran_file
|
||||
~HkConverter.repack
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,32 +0,0 @@
|
||||
hk
|
||||
==
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.hk
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
.. rubric:: Classes
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
:template: autosummary_class_template.rst
|
||||
|
||||
HkConverter
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.atm.dos\_tetra\_weights\_3d
|
||||
================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.atm
|
||||
|
||||
.. autofunction:: dos_tetra_weights_3d
|
||||
@ -1,31 +0,0 @@
|
||||
atm
|
||||
===
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.plovasp.atm
|
||||
|
||||
|
||||
|
||||
.. rubric:: Functions
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
dos_tetra_weights_3d
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.converter.generate\_and\_output\_as\_text
|
||||
==============================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.converter
|
||||
|
||||
.. autofunction:: generate_and_output_as_text
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.converter.main
|
||||
===================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.converter
|
||||
|
||||
.. autofunction:: main
|
||||
@ -1,32 +0,0 @@
|
||||
converter
|
||||
=========
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.plovasp.converter
|
||||
|
||||
|
||||
|
||||
.. rubric:: Functions
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
generate_and_output_as_text
|
||||
main
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.elstruct.ElectronicStructure.\_\_init\_\_
|
||||
==============================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.elstruct
|
||||
|
||||
.. automethod:: ElectronicStructure.__init__
|
||||
@ -1,6 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.elstruct.ElectronicStructure.debug\_density\_matrix
|
||||
========================================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.elstruct
|
||||
|
||||
.. automethod:: ElectronicStructure.debug_density_matrix
|
||||
@ -1,21 +0,0 @@
|
||||
triqs\_dft\_tools.converters.plovasp.elstruct.ElectronicStructure
|
||||
=================================================================
|
||||
|
||||
.. currentmodule:: triqs_dft_tools.converters.plovasp.elstruct
|
||||
|
||||
.. autoclass:: ElectronicStructure
|
||||
|
||||
|
||||
|
||||
.. rubric:: Methods
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
|
||||
~ElectronicStructure.__init__
|
||||
~ElectronicStructure.debug_density_matrix
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
@ -1,32 +0,0 @@
|
||||
elstruct
|
||||
========
|
||||
|
||||
.. automodule:: triqs_dft_tools.converters.plovasp.elstruct
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
.. rubric:: Classes
|
||||
|
||||
.. autosummary::
|
||||
:toctree:
|
||||
:template: autosummary_class_template.rst
|
||||
|
||||
ElectronicStructure
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
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Reference in New Issue
Block a user