LICENSE
MANIFEST.in
README.rst
requirements-dev.txt
setup.py
tox.ini
docs/Makefile
docs/api.rst
docs/conf.py
docs/index.rst
docs/intro.rst
docs/make.bat
docs/usage.rst
qeschema/__init__.py
qeschema/cards.py
qeschema/converters.py
qeschema/documents.py
qeschema/exceptions.py
qeschema/namespaces.py
qeschema/options.py
qeschema/upf.py
qeschema/utils.py
qeschema.egg-info/PKG-INFO
qeschema.egg-info/SOURCES.txt
qeschema.egg-info/dependency_links.txt
qeschema.egg-info/requires.txt
qeschema.egg-info/top_level.txt
qeschema/hdf5/__init__.py
qeschema/schemas/epw.xsd
qeschema/schemas/ph_xmlschema.xsd
qeschema/schemas/qes.xsd
qeschema/schemas/qes_neb.xsd
qeschema/schemas/qes_neb_test_ref.xsd
qeschema/schemas/qes_spectrum.xsd
qeschema/schemas/qes_test_ref.xsd
qeschema/schemas/tddfpt.xsd
qeschema/schemas/xspectra.xsd
qeschema/schemas/releases/ph-20180511.xsd
qeschema/schemas/releases/ph-20210706.xsd
qeschema/schemas/releases/ph_temp.xsd
qeschema/schemas/releases/qes-20180510.xsd
qeschema/schemas/releases/qes-20180511.xsd
qeschema/schemas/releases/qes_030920.xsd
qeschema/schemas/releases/qes_181201.xsd
qeschema/schemas/releases/qes_190207.xsd
qeschema/schemas/releases/qes_190304.xsd
qeschema/schemas/releases/qes_190719.xsd
qeschema/schemas/releases/qes_191206.xsd
qeschema/schemas/releases/qes_200420.xsd
qeschema/schemas/releases/qes_211101.xsd
qeschema/schemas/releases/qes_230310.xsd
qeschema/schemas/releases/qes_neb-20180511.xsd
qeschema/schemas/releases/qes_neb-211101.xsd
qeschema/schemas/releases/qes_spectrum-20180511.xsd
qeschema/schemas/releases/qes_spectrum-20180517.xsd
qeschema/schemas/releases/qes_test_240411.xsd
qeschema/schemas/releases/tddfpt-20180511.xsd
qeschema/schemas/releases/tddfpt-20180517.xsd
scripts/xml2qeinput.py
scripts/yaml2qeinput.py
tests/__init__.py
tests/test_cards.py
tests/test_converters.py
tests/test_documents.py
tests/test_hdf5.py
tests/test_options.py
tests/test_upf.py
tests/test_utils.py
tests/examples/pw/Al001_relax_bfgs.in
tests/resources/dummy/incomplete.xml
tests/resources/dummy/incomplete.xsd
tests/resources/dummy/instance.csv
tests/resources/dummy/instance.json
tests/resources/dummy/instance.xml
tests/resources/dummy/instance.yaml
tests/resources/dummy/instance_json
tests/resources/dummy/instance_xml
tests/resources/dummy/instance_yaml
tests/resources/dummy/schema.xsd
tests/resources/epw/epw_test1.in.test
tests/resources/epw/epw_test1.xml
tests/resources/epw/epw_test2.in.test
tests/resources/epw/epw_test2.xml
tests/resources/neb/Al001+H_pbc.in.test
tests/resources/neb/Al001+H_pbc.xml
tests/resources/neb/Al001_plus_H_bc3.in.test
tests/resources/neb/Al001_plus_H_bc3.xml
tests/resources/neb/H2+H.in.test
tests/resources/neb/H2+H.xml
tests/resources/neb/H2+H_crystal.in.test
tests/resources/neb/H2+H_crystal.xml
tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.in.test
tests/resources/neb/periodic_dft_65_WaterP1_0_neb_0.xml
tests/resources/ph/al.elph.in.test
tests/resources/ph/al.elph.xml
tests/resources/ph/alas_ph.in.test
tests/resources/ph/alas_ph.xml
tests/resources/ph/alas_recover.in.test
tests/resources/ph/alas_recover.xml
tests/resources/ph/ch4_nm.in.test
tests/resources/ph/ch4_nm.xml
tests/resources/ph/nat_todo.in.test
tests/resources/ph/nat_todo.xml
tests/resources/ph/nat_todo_zero.in.test
tests/resources/ph/nat_todo_zero.xml
tests/resources/ph/sio2_dielectric.in.test
tests/resources/ph/sio2_dielectric.xml
tests/resources/ph/sio2_prova_disp.in.test
tests/resources/ph/sio2_prova_disp.xml
tests/resources/ph/sio2_prova_qplot.in.test
tests/resources/ph/sio2_prova_qplot.xml
tests/resources/pw/Al001_relax_bfgs-input.yml
tests/resources/pw/Al001_relax_bfgs.in
tests/resources/pw/Al001_relax_bfgs.in.test
tests/resources/pw/Al001_relax_bfgs.json
tests/resources/pw/Al001_relax_bfgs.xml
tests/resources/pw/Al001_relax_bfgs.yml
tests/resources/pw/Al001_rlx_damp.in.test
tests/resources/pw/Al001_rlx_damp.xml
tests/resources/pw/Al_bands.in.test
tests/resources/pw/Al_bands.xml
tests/resources/pw/CO_bgfs_relax.in.test
tests/resources/pw/CO_bgfs_relax.xml
tests/resources/pw/CO_bgfs_relax_with_external_forces.in.test
tests/resources/pw/CO_bgfs_relax_with_external_forces.xml
tests/resources/pw/ESM_2Dxy.in.test
tests/resources/pw/ESM_2Dxy.xml
tests/resources/pw/FeO_LDAU_standard.in.test
tests/resources/pw/FeO_LDAU_standard.xml
tests/resources/pw/FeO_LDAU_standard_230310.in.test
tests/resources/pw/FeO_LDAU_standard_230310.xml
tests/resources/pw/FeO_LDAU_with_no_U.in.test
tests/resources/pw/FeO_LDAU_with_no_U.xml
tests/resources/pw/FeO_LDAU_with_no_U_230310.in.test
tests/resources/pw/FeO_LDAU_with_no_U_230310.xml
tests/resources/pw/FeO_LDAU_with_starting_ns.in.test
tests/resources/pw/FeO_LDAU_with_starting_ns.xml
tests/resources/pw/FeO_LDAU_with_starting_ns_230210.in.test
tests/resources/pw/FeO_LDAU_with_starting_ns_230210.xml
tests/resources/pw/Fe_Im-3m_0_dftd3.in.test
tests/resources/pw/Fe_Im-3m_0_dftd3.xml
tests/resources/pw/Fe_crystal_crystal_positions.in.test
tests/resources/pw/Fe_crystal_crystal_positions.xml
tests/resources/pw/Fe_non_collinear_penalty.in.test
tests/resources/pw/Fe_non_collinear_penalty.xml
tests/resources/pw/Fe_noncolin.in.test
tests/resources/pw/Fe_noncolin.xml
tests/resources/pw/Ni.xml
tests/resources/pw/PbTiO3_BerryPhase.in.test
tests/resources/pw/PbTiO3_BerryPhase.xml
tests/resources/pw/PbTiO3_bc3_fcp_opt.in.test
tests/resources/pw/PbTiO3_bc3_fcp_opt.xml
tests/resources/pw/PbTiO3_scf.in.test
tests/resources/pw/PbTiO3_scf.xml
tests/resources/pw/Pt_spinorbit.in.test
tests/resources/pw/Pt_spinorbit.xml
tests/resources/pw/Si.xml
tests/resources/pw/Si_md.in.test
tests/resources/pw/Si_md.xml
tests/resources/tddfpt/Ag.tddfpt-eels.in.test
tests/resources/tddfpt/Ag.tddfpt-eels.xml
tests/resources/tddfpt/Benzene.dav.in.test
tests/resources/tddfpt/Benzene.dav.xml
tests/resources/tddfpt/CH4.tddfpt.in.test
tests/resources/tddfpt/CH4.tddfpt.xml
tests/resources/tddfpt/CH4.tddfpt_pp.in.test
tests/resources/tddfpt/CH4.tddfpt_pp.xml
tests/resources/upf/N.pz-vbc.UPF
tests/resources/xspectra/Cu_L23_xspectra.in.test
tests/resources/xspectra/Cu_L23_xspectra.xml
tests/resources/xspectra/NiO_xspectra_dip.in.test
tests/resources/xspectra/NiO_xspectra_dip.xml
tests/resources/xspectra/xspectra_example_full.in
tests/resources/xspectra/xspectra_example_full.xml