LICENSE.md
MANIFEST.in
README.md
pyproject.toml
examples/README.md
examples/do_all_examples.sh
examples/ASAP3-Example/README.md
examples/ASAP3-Example/germanene1x1_Example.cif
examples/ASAP3-Example/sampleinput.py
examples/ASAP3-Example/sampleinput_profiles.py
examples/Al-phonon/Al-phonon.py
examples/Al-phonon/Al_mp-134_primitive.cif
examples/Al-phonon/README.md
examples/Bulk-GaAs-noCIF/README.md
examples/Bulk-GaAs-noCIF/bulk_gaas.py
examples/Cr2O-spin/Cr2O.py
examples/Cr2O-spin/Cr2O_mp-1206821_primitive.cif
examples/Cr2O-spin/README.md
examples/Graphene-LCAO/README.md
examples/Graphene-LCAO/graphene.py
examples/Graphene-LCAO/graphene4x4.cif
examples/Graphene-LCAO/graphene4x4withdefect.cif
examples/Graphene-ML/README.md
examples/Graphene-ML/graphene4x4withdefect.cif
examples/Graphene-ML/ml_input.py
examples/Graphene-charged/README.md
examples/Graphene-charged/graphene-charged.py
examples/Graphene-charged/graphene-neutral.py
examples/Graphene-charged/graphene4x4withdefect.cif
examples/Si-2atoms-optical/README.md
examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py
examples/Si-2atoms-optical/Si-Step2-optical-RPA.py
examples/Si-2atoms-optical/Si-Step3-optical-BSE.py
examples/Si-2atoms-optical/Si_mp-149_primitive_Example.cif
examples/Si-qe/README.md
examples/Si-qe/si.scf.in
examples/Si-vasp/INCAR
examples/Si-vasp/KPOINTS
examples/Si-vasp/POSCAR
examples/Si-vasp/README.md
examples/Si-with-HSE/README.md
examples/Si-with-HSE/Si-with-HSE.py
examples/Si-with-HSE/Si_mp-149_primitive.cif
examples/TiC-elastic-electronic/README.md
examples/TiC-elastic-electronic/TiC.py
examples/TiC-elastic-electronic/TiC_mp-631_primitive-Final.cif
examples/ZnO-with-Hubbard/README.md
examples/ZnO-with-Hubbard/ZnO_withHubbard.py
examples/ZnO-with-Hubbard/ZnO_woHubbard.py
nanoworks/__init__.py
nanoworks/cli.py
nanoworks/dftsolve.py
nanoworks/mdsolve.py
nanoworks/mlsolve.py
nanoworks/qeconverter.py
nanoworks/vaspconverter.py
nanoworks.egg-info/PKG-INFO
nanoworks.egg-info/SOURCES.txt
nanoworks.egg-info/dependency_links.txt
nanoworks.egg-info/entry_points.txt
nanoworks.egg-info/top_level.txt
optimizations/find3Dmin.py
optimizations/optimize_cutoff.py
optimizations/optimize_kpoints.py
optimizations/optimize_kptsdensity.py
optimizations/optimize_latticeparam.py