AUTHORS.txt
CHANGELOG.md
LICENSE
MANIFEST.in
README.md
setup.cfg
setup.json
setup.py
setup_requirements.txt
./tests/run.sh
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aiida_fleur/__init__.py
aiida_fleur.egg-info/PKG-INFO
aiida_fleur.egg-info/SOURCES.txt
aiida_fleur.egg-info/dependency_links.txt
aiida_fleur.egg-info/entry_points.txt
aiida_fleur.egg-info/requires.txt
aiida_fleur.egg-info/top_level.txt
aiida_fleur/calculation/__init__.py
aiida_fleur/calculation/fleur.py
aiida_fleur/calculation/fleurinputgen.py
aiida_fleur/cmdline/__init__.py
aiida_fleur/cmdline/commands/__init__.py
aiida_fleur/cmdline/commands/fleurinpdata.py
aiida_fleur/cmdline/commands/scf_wc.py
aiida_fleur/cmdline/commands/workchains.py
aiida_fleur/common/__init__.py
aiida_fleur/common/constants.py
aiida_fleur/common/exceptions.py
aiida_fleur/common/mapping.py
aiida_fleur/common/workchain/__init__.py
aiida_fleur/common/workchain/utils.py
aiida_fleur/common/workchain/base/__init__.py
aiida_fleur/common/workchain/base/restart.py
aiida_fleur/data/__init__.py
aiida_fleur/data/fleurinp.py
aiida_fleur/data/fleurinpmodifier.py
aiida_fleur/fleur_schema/__init__.py
aiida_fleur/fleur_schema/schemafile_index.py
aiida_fleur/fleur_schema/input/0.27/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.28/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.29/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.30/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.31/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.32/FleurInputSchema.xsd
aiida_fleur/fleur_schema/input/0.33/FleurInputSchema.xsd
aiida_fleur/parsers/__init__.py
aiida_fleur/parsers/fleur.py
aiida_fleur/parsers/fleur_inputgen.py
aiida_fleur/tools/StructureData_util.py
aiida_fleur/tools/__init__.py
aiida_fleur/tools/check_existence.py
aiida_fleur/tools/common_aiida.py
aiida_fleur/tools/common_fleur_wf.py
aiida_fleur/tools/common_fleur_wf_util.py
aiida_fleur/tools/create_corehole.py
aiida_fleur/tools/create_kpoints_from_distance.py
aiida_fleur/tools/data_handling.py
aiida_fleur/tools/decide_ncore.py
aiida_fleur/tools/dict_util.py
aiida_fleur/tools/element_econfig_list.py
aiida_fleur/tools/exp_bindingenergies.json
aiida_fleur/tools/extract_corelevels.py
aiida_fleur/tools/io_routines.py
aiida_fleur/tools/merge_parameter.py
aiida_fleur/tools/queue_defaults.py
aiida_fleur/tools/read_cif_folder.py
aiida_fleur/tools/set_nmmpmat.py
aiida_fleur/tools/xml_util.py
aiida_fleur/tools/plot/__init__.py
aiida_fleur/tools/plot/fleur.py
aiida_fleur/workflows/__init__.py
aiida_fleur/workflows/band.py
aiida_fleur/workflows/banddos.py
aiida_fleur/workflows/base_fleur.py
aiida_fleur/workflows/base_relax.py
aiida_fleur/workflows/corehole.py
aiida_fleur/workflows/create_magnetic_film.py
aiida_fleur/workflows/delta.py
aiida_fleur/workflows/dmi.py
aiida_fleur/workflows/dos.py
aiida_fleur/workflows/eos.py
aiida_fleur/workflows/initial_cls.py
aiida_fleur/workflows/mae.py
aiida_fleur/workflows/mae_conv.py
aiida_fleur/workflows/optimize_para.py
aiida_fleur/workflows/relax.py
aiida_fleur/workflows/scf.py
aiida_fleur/workflows/ssdisp.py
aiida_fleur/workflows/ssdisp_conv.py
docs/Makefile
docs/README.rst
docs/b_code
docs/code.rst
docs/requirements_for_rtd.txt
docs/requirements_for_rtd_aiida.txt
docs/rtd_settings.py
docs/build/doctrees/environment.pickle
docs/build/doctrees/index.doctree
docs/build/doctrees/devel_guide/dg_index.doctree
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docs/build/html/.buildinfo
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docs/source/user_guide/workflows/code/mae_conv_parameters.py
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tests/__init__.py
tests/conftest.py
tests/migrate_exports.py
tests/test_entrypoints.py
tests/test_workflows_builder_init.py
tests/calculation/__init__.py
tests/calculation/test_fleur.py
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tests/cmdline/__init__.py
tests/data/__init__.py
tests/data/test_fleurinp.py
tests/data/test_fleurinpmodifier.py
tests/fleur_schema/__init__.py
tests/fleur_schema/test_schema_files.py
tests/parsers/__init__.py
tests/parsers/test_fleur_parser.py
tests/parsers/test_inpgen_parser.py
tests/tools/__init__.py
tests/tools/test_StructureData_util.py
tests/tools/test_common_aiida.py
tests/tools/test_common_fleur_wf.py
tests/tools/test_common_fleur_wf_util.py
tests/tools/test_create_corehole.py
tests/tools/test_data_handling.py
tests/tools/test_dict_util.py
tests/tools/test_element_econfig_list.py
tests/tools/test_extract_corelevels.py
tests/tools/test_graph_fleur.py
tests/tools/test_io_routines.py
tests/tools/test_plot_fleur.py
tests/tools/test_read_cif_folder.py
tests/tools/test_set_nmmpmat.py
tests/tools/test_xml_util.py
tests/workflows/__init__.py
tests/workflows/test_banddos_workchain.py
tests/workflows/test_base_fleur_workchain.py
tests/workflows/test_corehole_workchain.py
tests/workflows/test_create_magnetic_workchain.py
tests/workflows/test_eos_workchain.py
tests/workflows/test_initial_cls_workchain.py
tests/workflows/test_mae_workchain.py
tests/workflows/test_mae_workchain2.py
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tests/workflows/test_scf_workchain.py