README.rst
setup.cfg
setup.py
jarvis/__init__.py
jarvis/ai/__init__.py
jarvis/ai/descriptors/__init__.py
jarvis/ai/descriptors/cfid.py
jarvis/ai/descriptors/coulomb.py
jarvis/ai/gcn/__init__.py
jarvis/ai/pkgs/__init__.py
jarvis/ai/pkgs/utils.py
jarvis/ai/pkgs/lgbm/__init__.py
jarvis/ai/pkgs/lgbm/classification.py
jarvis/ai/pkgs/lgbm/regression.py
jarvis/ai/pkgs/sklearn/__init__.py
jarvis/ai/pkgs/sklearn/classification.py
jarvis/ai/pkgs/sklearn/hyper_params.py
jarvis/ai/pkgs/sklearn/regression.py
jarvis/ai/uncertainty/__init__.py
jarvis/ai/uncertainty/lgbm_quantile_uncertainty.py
jarvis/analysis/__init__.py
jarvis/analysis/darkmatter/__init__.py
jarvis/analysis/darkmatter/metrics.py
jarvis/analysis/defects/__init__.py
jarvis/analysis/defects/surface.py
jarvis/analysis/defects/vacancy.py
jarvis/analysis/diffraction/__init__.py
jarvis/analysis/diffraction/atomic_scattering_params.json
jarvis/analysis/diffraction/xrd.py
jarvis/analysis/elastic/__init__.py
jarvis/analysis/elastic/tensor.py
jarvis/analysis/interface/__init__.py
jarvis/analysis/interface/zur.py
jarvis/analysis/magnetism/__init__.py
jarvis/analysis/magnetism/magmom_setup.py
jarvis/analysis/periodic/__init__.py
jarvis/analysis/periodic/ptable.py
jarvis/analysis/phonon/__init__.py
jarvis/analysis/phonon/force_constants.py
jarvis/analysis/phonon/ir.py
jarvis/analysis/solarefficiency/__init__.py
jarvis/analysis/solarefficiency/am1.5G.dat
jarvis/analysis/solarefficiency/solar.py
jarvis/analysis/stm/__init__.py
jarvis/analysis/stm/tersoff_hamann.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/analysis/topological/__init__.py
jarvis/analysis/topological/spillage.py
jarvis/core/Elements.json
jarvis/core/__init__.py
jarvis/core/atoms.py
jarvis/core/composition.py
jarvis/core/element_charge.json
jarvis/core/graphs.py
jarvis/core/image.py
jarvis/core/kpoints.py
jarvis/core/lattice.py
jarvis/core/pdb_atoms.py
jarvis/core/specie.py
jarvis/core/spectrum.py
jarvis/core/utils.py
jarvis/db/__init__.py
jarvis/db/figshare.py
jarvis/db/jsonutils.py
jarvis/db/lammps_to_xml.py
jarvis/db/restapi.py
jarvis/db/vasp_to_xml.py
jarvis/db/webpages.py
jarvis/examples/__init__.py
jarvis/examples/lammps/__init__.py
jarvis/examples/vasp/__init__.py
jarvis/examples/vasp/dft_test.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/pennylane/__init__.py
jarvis/io/pennylane/inputs.py
jarvis/io/phonopy/__init__.py
jarvis/io/phonopy/fcmat2hr.py
jarvis/io/phonopy/inputs.py
jarvis/io/phonopy/outputs.py
jarvis/io/qe/__init__.py
jarvis/io/qe/inputs.py
jarvis/io/qe/outputs.py
jarvis/io/qiskit/__init__.py
jarvis/io/qiskit/inputs.py
jarvis/io/tequila/__init__.py
jarvis/io/tequila/inputs.py
jarvis/io/vasp/__init__.py
jarvis/io/vasp/default_potcars.json
jarvis/io/vasp/inputs.py
jarvis/io/vasp/outputs.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/io/wien2k/__init__.py
jarvis/io/wien2k/inputs.py
jarvis/io/wien2k/outputs.py
jarvis/tasks/__init__.py
jarvis/tasks/queue_jobs.py
jarvis/tasks/boltztrap/__init__.py
jarvis/tasks/boltztrap/run.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/phonopy/__init__.py
jarvis/tasks/phonopy/run.py
jarvis/tasks/vasp/__init__.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_ai_uncertainty.py
jarvis/tests/testfiles/ai/test_desc.py
jarvis/tests/testfiles/ai/test_pkgs.py
jarvis/tests/testfiles/analysis/__init__.py
jarvis/tests/testfiles/analysis/darkmatter/__init__.py
jarvis/tests/testfiles/analysis/darkmatter/test_metrics.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/elastic/__init__.py
jarvis/tests/testfiles/analysis/elastic/test_tensor.py
jarvis/tests/testfiles/analysis/interface/__init__.py
jarvis/tests/testfiles/analysis/interface/test_zur.py
jarvis/tests/testfiles/analysis/magnetism/__init__.py
jarvis/tests/testfiles/analysis/magnetism/test_magnetism.py
jarvis/tests/testfiles/analysis/phonon/__init__.py
jarvis/tests/testfiles/analysis/phonon/test_fc.py
jarvis/tests/testfiles/analysis/phonon/test_ir.py
jarvis/tests/testfiles/analysis/solar/__init__.py
jarvis/tests/testfiles/analysis/solar/test_solar.py
jarvis/tests/testfiles/analysis/stm/__init__.py
jarvis/tests/testfiles/analysis/stm/test_stm.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/analysis/thermodynamics/__init__.py
jarvis/tests/testfiles/analysis/thermodynamics/test_energetics.py
jarvis/tests/testfiles/analysis/topological/__init__.py
jarvis/tests/testfiles/analysis/topological/test_spillage.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_graph.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/core/test_utils.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