LICENSE
MANIFEST.in
README.md
setup.json
setup.py
aiida_crystal17/__init__.py
aiida_crystal17.egg-info/PKG-INFO
aiida_crystal17.egg-info/SOURCES.txt
aiida_crystal17.egg-info/dependency_links.txt
aiida_crystal17.egg-info/entry_points.txt
aiida_crystal17.egg-info/requires.txt
aiida_crystal17.egg-info/top_level.txt
aiida_crystal17/calcfunctions/__init__.py
aiida_crystal17/calcfunctions/band_gap.py
aiida_crystal17/calculations/__init__.py
aiida_crystal17/calculations/cry_abstract.py
aiida_crystal17/calculations/cry_basic.py
aiida_crystal17/calculations/cry_doss.py
aiida_crystal17/calculations/cry_fermi.py
aiida_crystal17/calculations/cry_main.py
aiida_crystal17/cmndline/__init__.py
aiida_crystal17/cmndline/basis_set.py
aiida_crystal17/cmndline/options.py
aiida_crystal17/cmndline/symmetry.py
aiida_crystal17/common/__init__.py
aiida_crystal17/common/atoms.py
aiida_crystal17/common/dict_funcs.py
aiida_crystal17/common/kpoints.py
aiida_crystal17/common/mapping.py
aiida_crystal17/common/parsing.py
aiida_crystal17/data/__init__.py
aiida_crystal17/data/basis_set.py
aiida_crystal17/data/input_params.py
aiida_crystal17/data/kinds.py
aiida_crystal17/data/symmetry.py
aiida_crystal17/gulp/__init__.py
aiida_crystal17/gulp/unit_styles.py
aiida_crystal17/gulp/calculations/__init__.py
aiida_crystal17/gulp/calculations/gulp_abstract.py
aiida_crystal17/gulp/calculations/gulp_fitting.py
aiida_crystal17/gulp/calculations/gulp_optimize.py
aiida_crystal17/gulp/calculations/gulp_single.py
aiida_crystal17/gulp/cmndline/__init__.py
aiida_crystal17/gulp/cmndline/potentials.py
aiida_crystal17/gulp/data/__init__.py
aiida_crystal17/gulp/data/potential.py
aiida_crystal17/gulp/parsers/__init__.py
aiida_crystal17/gulp/parsers/parse_fitting.py
aiida_crystal17/gulp/parsers/parse_opt.py
aiida_crystal17/gulp/parsers/parse_single.py
aiida_crystal17/gulp/parsers/raw/__init__.py
aiida_crystal17/gulp/parsers/raw/parse_output_common.py
aiida_crystal17/gulp/parsers/raw/parse_output_fit.py
aiida_crystal17/gulp/parsers/raw/parse_output_std.py
aiida_crystal17/gulp/parsers/raw/write_geometry.py
aiida_crystal17/gulp/parsers/raw/write_input.py
aiida_crystal17/gulp/parsers/raw/write_input_fitting.py
aiida_crystal17/gulp/potentials/__init__.py
aiida_crystal17/gulp/potentials/base.py
aiida_crystal17/gulp/potentials/common.py
aiida_crystal17/gulp/potentials/lj.py
aiida_crystal17/gulp/potentials/raw_reaxff.py
aiida_crystal17/gulp/potentials/reaxff.py
aiida_crystal17/immigration/__init__.py
aiida_crystal17/immigration/create_calcjob.py
aiida_crystal17/immigration/create_inputs.py
aiida_crystal17/parsers/__init__.py
aiida_crystal17/parsers/cry_doss.py
aiida_crystal17/parsers/cry_fermi.py
aiida_crystal17/parsers/cry_main.py
aiida_crystal17/parsers/raw/__init__.py
aiida_crystal17/parsers/raw/crystal_fort25.py
aiida_crystal17/parsers/raw/crystal_stdout.py
aiida_crystal17/parsers/raw/doss_input.py
aiida_crystal17/parsers/raw/gui_parse.py
aiida_crystal17/parsers/raw/inputd12_read.py
aiida_crystal17/parsers/raw/inputd12_write.py
aiida_crystal17/parsers/raw/main_out.py
aiida_crystal17/parsers/raw/newk_output.py
aiida_crystal17/parsers/raw/pbs.py
aiida_crystal17/symmetry/__init__.py
aiida_crystal17/symmetry/symmetry.py
aiida_crystal17/tests/__init__.py
aiida_crystal17/tests/cx1_submission_tests.py
aiida_crystal17/tests/mock_crystal17.py
aiida_crystal17/tests/mock_gulp.py
aiida_crystal17/tests/mock_properties17.py
aiida_crystal17/tests/utils.py
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