README.rst
setup.cfg
setup.py
jarvis/__init__.py
jarvis/ai/__init__.py
jarvis/ai/descriptors/__init__.py
jarvis/ai/descriptors/cfid.py
jarvis/analysis/__init__.py
jarvis/analysis/defects/__init__.py
jarvis/analysis/defects/surface.py
jarvis/analysis/defects/vacancy.py
jarvis/analysis/interface/__init__.py
jarvis/analysis/interface/encoder.py
jarvis/analysis/interface/zur.py
jarvis/analysis/phonon/__init__.py
jarvis/analysis/phonon/ir.py
jarvis/analysis/solarefficiency/__init__.py
jarvis/analysis/solarefficiency/solar.py
jarvis/analysis/spillage/__init__.py
jarvis/analysis/spillage/spillage.py
jarvis/analysis/structure/__init__.py
jarvis/analysis/structure/neighbors.py
jarvis/analysis/structure/spacegroup.py
jarvis/analysis/thermodynamics/__init__.py
jarvis/analysis/thermodynamics/energetics.py
jarvis/core/Elements.json
jarvis/core/__init__.py
jarvis/core/atoms.py
jarvis/core/composition.py
jarvis/core/element_charge.json
jarvis/core/kpoints.py
jarvis/core/lattice.py
jarvis/core/pdb.py
jarvis/core/specie.py
jarvis/core/utils.py
jarvis/db/__init__.py
jarvis/db/figshare.py
jarvis/db/jsonutils.py
jarvis/examples/__init__.py
jarvis/examples/lammps/__init__.py
jarvis/examples/vasp/__init__.py
jarvis/io/__init__.py
jarvis/io/boltztrap/__init__.py
jarvis/io/boltztrap/inputs.py
jarvis/io/boltztrap/outputs.py
jarvis/io/calphad/__init__.py
jarvis/io/calphad/write_decorated_poscar.py
jarvis/io/lammps/__init__.py
jarvis/io/lammps/inputs.py
jarvis/io/lammps/outputs.py
jarvis/io/vasp/__init__.py
jarvis/io/vasp/default_potcars.json
jarvis/io/vasp/inputs.py
jarvis/io/vasp/outputs.py
jarvis/io/vasp/vasp_constant.py
jarvis/io/wannier/__init__.py
jarvis/io/wannier/default_semicore.json
jarvis/io/wannier/inputs.py
jarvis/io/wannier/outputs.py
jarvis/io/wanniertools/__init__.py
jarvis/io/wanniertools/inputs.py
jarvis/io/wanniertools/outputs.py
jarvis/tasks/__init__.py
jarvis/tasks/queue_jobs.py
jarvis/tasks/lammps/__init__.py
jarvis/tasks/lammps/lammps.py
jarvis/tasks/lammps/templates/__init__.py
jarvis/tasks/lammps/templates/displace.mod
jarvis/tasks/lammps/templates/inelast.mod
jarvis/tasks/lammps/templates/inelast_min.mod
jarvis/tasks/lammps/templates/inelast_nobox.mod
jarvis/tasks/lammps/templates/inelastcomb.mod
jarvis/tasks/lammps/templates/inelastreax.mod
jarvis/tasks/lammps/templates/relax.mod
jarvis/tasks/lammps/templates/run0.mod
jarvis/tasks/lammps/templates/templates.py
jarvis/tasks/vasp/__init__.py
jarvis/tasks/vasp/error_handlers.py
jarvis/tasks/vasp/vasp.py
jarvis/tests/__init__.py
jarvis/tests/testfiles/__init__.py
jarvis/tests/testfiles/ai/__init__.py
jarvis/tests/testfiles/ai/test_desc.py
jarvis/tests/testfiles/analysis/__init__.py
jarvis/tests/testfiles/analysis/defects/__init__.py
jarvis/tests/testfiles/analysis/defects/test_surface.py
jarvis/tests/testfiles/analysis/defects/test_vacancy.py
jarvis/tests/testfiles/analysis/interface/__init__.py
jarvis/tests/testfiles/analysis/interface/test_zur.py
jarvis/tests/testfiles/analysis/solar/__init__.py
jarvis/tests/testfiles/analysis/solar/test_solar.py
jarvis/tests/testfiles/analysis/spillage/__init__.py
jarvis/tests/testfiles/analysis/spillage/test_spillage.py
jarvis/tests/testfiles/analysis/structure/__init__.py
jarvis/tests/testfiles/analysis/structure/test_energetics.py
jarvis/tests/testfiles/analysis/structure/test_neighbors.py
jarvis/tests/testfiles/analysis/structure/test_spacegroup.py
jarvis/tests/testfiles/core/__init__.py
jarvis/tests/testfiles/core/test_atoms.py
jarvis/tests/testfiles/core/test_composition.py
jarvis/tests/testfiles/core/test_kpoints.py
jarvis/tests/testfiles/core/test_latice.py
jarvis/tests/testfiles/core/test_pdb.py
jarvis/tests/testfiles/core/test_specie.py
jarvis/tests/testfiles/db/__init__.py
jarvis/tests/testfiles/db/test_figshare.py
jarvis/tests/testfiles/tasks/__init__.py
jarvis/tests/testfiles/tasks/test_lammps.py
jarvis/tests/testfiles/tasks/test_vasp.py
jarvis_tools.egg-info/PKG-INFO
jarvis_tools.egg-info/SOURCES.txt
jarvis_tools.egg-info/dependency_links.txt
jarvis_tools.egg-info/requires.txt
jarvis_tools.egg-info/top_level.txt
notebooks/__init__.py