CHANGES.txt
LICENSE.txt
MANIFEST.in
README
README.md
requirements.txt
setup.cfg
setup.py
pychemia/__init__.py
pychemia.egg-info/PKG-INFO
pychemia.egg-info/SOURCES.txt
pychemia.egg-info/dependency_links.txt
pychemia.egg-info/requires.txt
pychemia.egg-info/top_level.txt
pychemia/analysis/__init__.py
pychemia/analysis/analysis.py
pychemia/analysis/changer.py
pychemia/analysis/cluster.py
pychemia/analysis/matching.py
pychemia/analysis/splitting.py
pychemia/analysis/surface.py
pychemia/code/__init__.py
pychemia/code/codes.py
pychemia/code/relaxator.py
pychemia/code/tasks.py
pychemia/code/abinit/__init__.py
pychemia/code/abinit/abifiles.py
pychemia/code/abinit/abinit.py
pychemia/code/abinit/htmlparser.py
pychemia/code/abinit/input.py
pychemia/code/abinit/output.py
pychemia/code/abinit/parser.py
pychemia/code/abinit/run.py
pychemia/code/abinit/utils.py
pychemia/code/abinit/task/__init__.py
pychemia/code/abinit/task/relax.py
pychemia/code/abinit/task/static.py
pychemia/code/dftb/__init__.py
pychemia/code/dftb/dftb.py
pychemia/code/dftb/input.py
pychemia/code/dftb/output.py
pychemia/code/dftb/task/__init__.py
pychemia/code/dftb/task/kpconv.py
pychemia/code/dftb/task/relax.py
pychemia/code/dftb/task/static.py
pychemia/code/elk/__init__.py
pychemia/code/elk/input.py
pychemia/code/elk/output.py
pychemia/code/elk/run.py
pychemia/code/fireball/__init__.py
pychemia/code/fireball/fireball.py
pychemia/code/fireball/input.py
pychemia/code/fireball/output.py
pychemia/code/fireball/task/__init__.py
pychemia/code/lennardjones/__init__.py
pychemia/code/lennardjones/lj.py
pychemia/code/new_fireball/__init__.py
pychemia/code/new_fireball/fireball.py
pychemia/code/octopus/__init__.py
pychemia/code/octopus/analysis.py
pychemia/code/octopus/input.py
pychemia/code/octopus/merge.py
pychemia/code/octopus/output.py
pychemia/code/octopus/run.py
pychemia/code/phonopy/__init__.py
pychemia/code/siesta/__init__.py
pychemia/code/siesta/input.py
pychemia/code/siesta/output.py
pychemia/code/siesta/run.py
pychemia/code/sprkkr/__init__.py
pychemia/code/vasp/__init__.py
pychemia/code/vasp/doscar.py
pychemia/code/vasp/incar.py
pychemia/code/vasp/input.py
pychemia/code/vasp/kpoints.py
pychemia/code/vasp/outcar.py
pychemia/code/vasp/output.py
pychemia/code/vasp/poscar.py
pychemia/code/vasp/queue.py
pychemia/code/vasp/vasp.py
pychemia/code/vasp/task/__init__.py
pychemia/code/vasp/task/convergence.py
pychemia/code/vasp/task/elastic.py
pychemia/code/vasp/task/polarization.py
pychemia/code/vasp/task/relax.py
pychemia/code/vasp/task/relax2.py
pychemia/code/vasp/task/static.py
pychemia/code/vasp/task/stregth.py
pychemia/core/__init__.py
pychemia/core/composition.py
pychemia/core/delaunay.py
pychemia/core/from_file.py
pychemia/core/structure.py
pychemia/crystal/__init__.py
pychemia/crystal/kpoints.py
pychemia/crystal/lattice.py
pychemia/crystal/symmetry.py
pychemia/db/__init__.py
pychemia/db/db.py
pychemia/db/queue.py
pychemia/db/repo.py
pychemia/dm/__init__.py
pychemia/dm/network.py
pychemia/evaluator/Fireball2PyChemiaDB.py
pychemia/evaluator/__init__.py
pychemia/evaluator/_ase.py
pychemia/evaluator/cluster.py
pychemia/evaluator/cluster_fireball.py
pychemia/evaluator/direct_evaluator.py
pychemia/evaluator/function.py
pychemia/evaluator/functional.py
pychemia/evaluator/simple_multiprocessing.py
pychemia/evaluator/vasp_evaluator.py
pychemia/external/__init__.py
pychemia/external/ase/__init__.py
pychemia/external/ase/_ase.py
pychemia/external/findsym/__init__.py
pychemia/external/pymatgen/__init__.py
pychemia/external/pymatgen/_pymatgen.py
pychemia/external/symmol/__init__.py
pychemia/external/symmol/symmol.py
pychemia/io/__init__.py
pychemia/io/ascii.py
pychemia/io/cif.py
pychemia/io/xyz.py
pychemia/md/__init__.py
pychemia/md/verlet.py
pychemia/population/__init__.py
pychemia/population/_distances.py
pychemia/population/_population.py
pychemia/population/ljcluster.py
pychemia/population/noncollinearmagmoms.py
pychemia/population/realfunction.py
pychemia/population/relaxstructures.py
pychemia/population/orbitaldftu/__init__.py
pychemia/population/orbitaldftu/_population.py
pychemia/runner/__init__.py
pychemia/runner/_pbs.py
pychemia/runner/_runner.py
pychemia/searcher/__init__.py
pychemia/searcher/annealing.py
pychemia/searcher/ant.py
pychemia/searcher/bee.py
pychemia/searcher/firefly.py
pychemia/searcher/genetic.py
pychemia/searcher/grey.py
pychemia/searcher/harmony.py
pychemia/searcher/mhm.py
pychemia/searcher/searcher.py
pychemia/searcher/swarm.py
pychemia/searcher/swarm2.py
pychemia/utils/__init__.py
pychemia/utils/computing.py
pychemia/utils/constants.py
pychemia/utils/mathematics.py
pychemia/utils/metaheuristics.py
pychemia/utils/netcdf.py
pychemia/utils/periodic.py
pychemia/utils/serializer.py
pychemia/visual/__init__.py
pychemia/visual/dos.py
pychemia/visual/lattice_plot.py
pychemia/visual/octopus_plot.py
pychemia/visual/octopus_visual.py
pychemia/visual/povray.py
pychemia/visual/procar.py
pychemia/visual/pyprocar.py
pychemia/visual/searcher.py
pychemia/visual/structure_plot.py
pychemia/web/__init__.py
scripts/CreateDatabaseFromCIFs.py
scripts/EvaluatorDirect.py
scripts/EvaluatorNonCollinear.py
scripts/Fireball2PyChemiaDB.py
scripts/OQMD2PyChemia.py
scripts/OrbitalDFTU_Evaluator.py
scripts/OrbitalDFTU_Executor.py
scripts/OrbitalDFTU_Plot.py
scripts/OrbitalDFTU_Searcher.py
scripts/Report_Metaheuristics.py
scripts/Report_Orbital.py
scripts/abi_abinit2xyz.py
scripts/abi_get_all_PSPs.py
scripts/abi_plot_bonds.py
scripts/abi_plot_hist.py
scripts/abi_xyz2abinit.py
scripts/ascii2povray.py
scripts/convex_collector.py
scripts/convex_plot.py
scripts/create_surface.py
scripts/hardness.py
scripts/mhm_collector.py
scripts/oct_setvar.py
scripts/octopus_get_vars.py
scripts/pcm_abinit_launcher.py
scripts/pcm_mechanical_properties.py
scripts/pcm_vasp_relaxator.py
scripts/pcm_vasp_static.py
scripts/pcm_vasp_strength.py
scripts/plot_dos.py
scripts/pychemia_client.py
scripts/pychemia_launcher.py
scripts/pychemia_server.py
scripts/relax_to_json.py
scripts/sprkkr_inputs.py
tests/data/Au.cif