LICENSE.txt
MANIFEST.in
README.md
setup.json
setup.py
aiida_quantumespresso/__init__.py
aiida_quantumespresso.egg-info/PKG-INFO
aiida_quantumespresso.egg-info/SOURCES.txt
aiida_quantumespresso.egg-info/dependency_links.txt
aiida_quantumespresso.egg-info/entry_points.txt
aiida_quantumespresso.egg-info/requires.txt
aiida_quantumespresso.egg-info/top_level.txt
aiida_quantumespresso/calculations/__init__.py
aiida_quantumespresso/calculations/cp.py
aiida_quantumespresso/calculations/dos.py
aiida_quantumespresso/calculations/matdyn.py
aiida_quantumespresso/calculations/namelists.py
aiida_quantumespresso/calculations/neb.py
aiida_quantumespresso/calculations/ph.py
aiida_quantumespresso/calculations/pp.py
aiida_quantumespresso/calculations/projwfc.py
aiida_quantumespresso/calculations/pw.py
aiida_quantumespresso/calculations/pw2wannier90.py
aiida_quantumespresso/calculations/pwimmigrant.py
aiida_quantumespresso/calculations/q2r.py
aiida_quantumespresso/calculations/helpers/__init__.py
aiida_quantumespresso/cli/__init__.py
aiida_quantumespresso/cli/calculations/__init__.py
aiida_quantumespresso/cli/calculations/pw/__init__.py
aiida_quantumespresso/cli/calculations/pw/base.py
aiida_quantumespresso/cli/workflows/__init__.py
aiida_quantumespresso/cli/workflows/matdyn/__init__.py
aiida_quantumespresso/cli/workflows/matdyn/base.py
aiida_quantumespresso/cli/workflows/ph/__init__.py
aiida_quantumespresso/cli/workflows/ph/base.py
aiida_quantumespresso/cli/workflows/pw/__init__.py
aiida_quantumespresso/cli/workflows/pw/band_structure.py
aiida_quantumespresso/cli/workflows/pw/bands.py
aiida_quantumespresso/cli/workflows/pw/base.py
aiida_quantumespresso/cli/workflows/pw/relax.py
aiida_quantumespresso/cli/workflows/q2r/__init__.py
aiida_quantumespresso/cli/workflows/q2r/base.py
aiida_quantumespresso/common/__init__.py
aiida_quantumespresso/common/exceptions.py
aiida_quantumespresso/common/pluginloader.py
aiida_quantumespresso/common/workchain/__init__.py
aiida_quantumespresso/common/workchain/utils.py
aiida_quantumespresso/common/workchain/base/__init__.py
aiida_quantumespresso/common/workchain/base/restart.py
aiida_quantumespresso/data/__init__.py
aiida_quantumespresso/data/forceconstants.py
aiida_quantumespresso/parsers/__init__.py
aiida_quantumespresso/parsers/basic_raw_parser_cp.py
aiida_quantumespresso/parsers/basic_raw_parser_pw.py
aiida_quantumespresso/parsers/basicpw.py
aiida_quantumespresso/parsers/constants.py
aiida_quantumespresso/parsers/cp.py
aiida_quantumespresso/parsers/dos.py
aiida_quantumespresso/parsers/matdyn.py
aiida_quantumespresso/parsers/neb.py
aiida_quantumespresso/parsers/ph.py
aiida_quantumespresso/parsers/projwfc.py
aiida_quantumespresso/parsers/pw.py
aiida_quantumespresso/parsers/pw2wannier90.py
aiida_quantumespresso/parsers/q2r.py
aiida_quantumespresso/parsers/raw_parser_cp.py
aiida_quantumespresso/parsers/raw_parser_neb.py
aiida_quantumespresso/parsers/raw_parser_ph.py
aiida_quantumespresso/parsers/raw_parser_pw.py
aiida_quantumespresso/parsers/raw_parser_simple.py
aiida_quantumespresso/tools/__init__.py
aiida_quantumespresso/tools/cp_tools.py
aiida_quantumespresso/tools/cpinputparser.py
aiida_quantumespresso/tools/importstructure.py
aiida_quantumespresso/tools/pwinputparser.py
aiida_quantumespresso/tools/qeinputparser.py
aiida_quantumespresso/tools/dbexporters/__init__.py
aiida_quantumespresso/tools/dbexporters/tcod_plugins/__init__.py
aiida_quantumespresso/tools/dbexporters/tcod_plugins/cp.py
aiida_quantumespresso/tools/dbexporters/tcod_plugins/pw.py
aiida_quantumespresso/utils/__init__.py
aiida_quantumespresso/utils/linalg.py
aiida_quantumespresso/utils/mapping.py
aiida_quantumespresso/utils/pseudopotential.py
aiida_quantumespresso/utils/resources.py
aiida_quantumespresso/utils/click/__init__.py
aiida_quantumespresso/utils/click/options.py
aiida_quantumespresso/utils/click/validators.py
aiida_quantumespresso/utils/defaults/__init__.py
aiida_quantumespresso/utils/defaults/calculation/__init__.py
aiida_quantumespresso/workflows/__init__.py
aiida_quantumespresso/workflows/matdyn/__init__.py
aiida_quantumespresso/workflows/matdyn/base.py
aiida_quantumespresso/workflows/ph/__init__.py
aiida_quantumespresso/workflows/ph/base.py
aiida_quantumespresso/workflows/pw/__init__.py
aiida_quantumespresso/workflows/pw/band_structure.py
aiida_quantumespresso/workflows/pw/bands.py
aiida_quantumespresso/workflows/pw/base.py
aiida_quantumespresso/workflows/pw/relax.py
aiida_quantumespresso/workflows/q2r/__init__.py
aiida_quantumespresso/workflows/q2r/base.py
examples/__init__.py
tests/__init__.py
tests/parsers/__init__.py
tests/parsers/parsers.py
tests/parsers/pwinputparser.py
tests/parsers/quantumespressopw.py
tests/parsers/quantumespressopwimmigrant.py
tests/parsers/tcodexporter.py