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/common/__init__.py
aiida_quantumespresso/common/exceptions.py
aiida_quantumespresso/common/pluginloader.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/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/tests/__init__.py
aiida_quantumespresso/tests/backend/parser_tests/__init__.py
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aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_tpiba_unspecified_bohr.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_tpiba_unspecified_crystal.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_tpiba_unspecified_crystal.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_tpiba_unspecified_unspecified.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_tpiba_unspecified_unspecified.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_alat.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_alat.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_angstrom.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_angstrom.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_bohr.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_bohr.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_crystal.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_crystal.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_unspecified.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_alat_unspecified.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_alat.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_alat.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_angstrom.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_angstrom.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_bohr.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_bohr.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_crystal.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_crystal.save/data-file.xml
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_unspecified.save/C.pbe-rrkjus.UPF
aiida_quantumespresso/tests/backend/pwtestjobs/tmp/True_False_unspecified_unspecified_unspecified.save/data-file.xml
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/workflows/__init__.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
examples/__init__.py