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mirror of https://github.com/triqs/dft_tools synced 2024-12-23 04:43:42 +01:00
dft_tools/doc/_python_api
2023-04-14 23:43:23 +01:00
..
triqs_dft_tools.block_structure.BlockStructure.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.adapt_deg_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.approximate_as_diagonal.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.check_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.check_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.convert_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.convert_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.convert_operator.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.copy.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.create_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.create_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.effective_transformation_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.effective_transformation_sumk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.full_structure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.gf_struct_solver_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.gf_struct_solver_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.gf_struct_sumk_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.gf_struct_sumk_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.inequiv_to_corr.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.map_gf_struct_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.pick_gf_struct_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.pick_gf_struct_sumk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.BlockStructure.sumk_to_solver_block.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.block_structure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.ConverterTools.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.ConverterTools.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.ConverterTools.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.ConverterTools.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.ConverterTools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.converter_tools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.axangsu2.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.bzfoldout.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.check_dens.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.convert_bands_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.convert_contours_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.convert_dft_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.convert_transport_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.determine_rep.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.determine_T.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.gen_perm.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.plotpt3d.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_eig.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_elk_file2.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_elk_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_geometry.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_kpoints.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_proj.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.read_projector.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.readlat.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.readsym.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.rotaxang.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.rotsym.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.sort_dft_eigvalues.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.split_string2.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.split_string3.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.split_string.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.symlat_to_complex_harmonics.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.update_so_quatities.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.v3frac.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.ylmrot.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.ylmroty.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.ElkConverter.zyz_euler.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.axangsu2.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.bzfoldout.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.gen_perm.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.plotpt3d.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.rotaxang.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.symlat_to_complex_harmonics.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.v3frac.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.ylmrot.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.ylmroty.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.ElkConverterTools.zyz_euler.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.elk_converter_tools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.readElkfiles.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.elktools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.convert_dft_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.HkConverter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.hk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.atm.dos_tetra_weights_3d.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.atm.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.converter.generate_and_output_as_text.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.converter.main.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.converter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.elstruct.ElectronicStructure.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.elstruct.ElectronicStructure.debug_density_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.elstruct.ElectronicStructure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.elstruct.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.groups_shells_consistency.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_band_window.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_energy_window.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_file_tmatrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_general.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_groups.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_parameter_set.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_dosmesh.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_int.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_ion_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_logical.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_tmatrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.issue_warning.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.inpconf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.check_data_consistency.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.ctrl_output.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.generate_plo.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.hk_output.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.issue_warning.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.kpoints_output.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.output_as_text.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.plo_output.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.plotools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.calc_complement.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.calc_hk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.get_block_matrix_map.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.nelect_window.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.orthogonalize_projector_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.orthogonalize.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.ProjectorGroup.select_bands.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_group.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.density_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.density_of_states.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.extract_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.extract_tmatrices.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.local_hamiltonian.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.select_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.issue_warning.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.density_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.density_of_states.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.extract_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.extract_tmatrices.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.local_hamiltonian.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.ProjectorShell.select_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.proj_shell.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.BLUE.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.ENDC.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.GREEN.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.MAGENTA.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.RED.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.bcolors.YELLOW.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.excepthook.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.get_dft_energy.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.is_vasp_lock_present.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.is_vasp_running.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.main.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.run_all.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.sc_dmft.sigint_handler.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Doscar.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Doscar.from_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Doscar.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Eigenval.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Eigenval.from_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Eigenval.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Kpoints.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Kpoints.from_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Kpoints.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Plocar.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Plocar.from_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Plocar.locproj_parser.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Plocar.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Plocar.search_for.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Poscar.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Poscar.from_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.Poscar.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.read_lines.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.read_symmcar.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.VaspData.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.plovasp.vaspio.VaspData.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.convert_dft_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.convert_misc_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.convert_symmetry_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.read_data.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.read_header_and_data.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.vasp.VaspConverter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.build_kmesh.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.check_and_adapt_for_soc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.check_bloch_basis_hk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.check_hr.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.check_wannier_basis_hk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.find_rot_mat.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.fourier_transform_hamiltonian.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.generate_local_so_matrix_t2g.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.read_all_wannier90_data.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.read_input_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.read_misc_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.read_wannier90_blochbasis_data.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.read_wannier90_hr_data.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.reorder_orbital_and_spin.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.convert_dft_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wannier90.Wannier90Converter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_bands_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_dft_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_misc_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_parproj_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_symmetry_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.convert_transport_input.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.det_shell_equivalence.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.read_fortran_file.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.repack.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.converters.wien2k.Wien2kConverter.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.add_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.analyse_block_structure_from_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.analyse_block_structure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.analyse_deg_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calc_dc_for_density.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calc_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calc_density_correction.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calc_mu.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calculate_diagonalization_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.calculate_min_max_band_energies.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.check_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.corr_to_inequiv.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.deg_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.density_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.density_of_states.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.downfold.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.eff_atomic_levels.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.extract_G_loc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gen_Akw.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_solver_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_solver_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_sumk_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_sumk_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gf_struct_sumk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.inequiv_to_corr.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.init_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.lattice_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.load_parproj.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.load.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.number_of_atoms.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.occupations.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.partial_charges.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.print_hamiltonian.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.proj_type_G_loc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.put_Sigma.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.read_input_from_hdf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.rotloc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.save.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.set_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.set_mu.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.set_Sigma.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.solver_to_sumk_block.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.solver_to_sumk.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.sorts_of_atoms.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.spaghettis.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.spectral_contours.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.sumk_to_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.symm_deg_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.total_density.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.transform_to_solver_blocks.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.transform_to_sumk_blocks.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft_tools.SumkDFTTools.upfold.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.add_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.analyse_block_structure_from_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.analyse_block_structure.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.analyse_deg_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calc_dc_for_density.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calc_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calc_density_correction.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calc_mu.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calculate_diagonalization_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.calculate_min_max_band_energies.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.check_projectors.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.corr_to_inequiv.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.deg_shells.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.density_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.downfold.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.eff_atomic_levels.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.extract_G_loc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.gf_struct_solver_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
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triqs_dft_tools.sumk_dft.SumkDFT.gf_struct_sumk_dict.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.gf_struct_sumk_list.rst spectral routines update 2023-04-14 23:43:23 +01:00
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triqs_dft_tools.sumk_dft.SumkDFT.inequiv_to_corr.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.init_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.lattice_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.load.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.number_of_atoms.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.put_Sigma.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.read_input_from_hdf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.rotloc.rst spectral routines update 2023-04-14 23:43:23 +01:00
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triqs_dft_tools.sumk_dft.SumkDFT.save.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.set_dc.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.set_mu.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.set_Sigma.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.solver_to_sumk_block.rst spectral routines update 2023-04-14 23:43:23 +01:00
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triqs_dft_tools.sumk_dft.SumkDFT.sorts_of_atoms.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.sumk_to_solver.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.symm_deg_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.total_density.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.transform_to_solver_blocks.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.transform_to_sumk_blocks.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.sumk_dft.SumkDFT.upfold.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.symmetry.rst spectral routines update 2023-04-14 23:43:23 +01:00
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triqs_dft_tools.trans_basis.TransBasis.__init__.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.trans_basis.TransBasis.calculate_diagonalisation_matrix.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.trans_basis.TransBasis.rotate_gf.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.trans_basis.TransBasis.rst spectral routines update 2023-04-14 23:43:23 +01:00
triqs_dft_tools.trans_basis.TransBasis.write_trans_file.rst spectral routines update 2023-04-14 23:43:23 +01:00