LICENSE
MANIFEST.in
README.md
setup.py
CC_dbgen.egg-info/PKG-INFO
CC_dbgen.egg-info/SOURCES.txt
CC_dbgen.egg-info/dependency_links.txt
CC_dbgen.egg-info/entry_points.txt
CC_dbgen.egg-info/requires.txt
CC_dbgen.egg-info/top_level.txt
dbgen/__init__.py
dbgen/main.py
dbgen/cli/__init__.py
dbgen/cli/main.py
dbgen/cli/run.py
dbgen/core/__init__.py
dbgen/core/lists.py
dbgen/core/misc.py
dbgen/core/numeric.py
dbgen/core/parsing.py
dbgen/data/__init__.py
dbgen/data/data_solids_wPBE.py
dbgen/data/element.json
dbgen/data/logfile_lists/sherlock_ksb.txt
dbgen/inputs/__init__.py
dbgen/inputs/adsorbates.py
dbgen/inputs/basics.py
dbgen/inputs/catalog.py
dbgen/inputs/development.py
dbgen/inputs/experiment.py
dbgen/inputs/extra.py
dbgen/inputs/graphs.py
dbgen/inputs/learning.py
dbgen/inputs/references.py
dbgen/inputs/rxn.py
dbgen/inputs/species.py
dbgen/new_inputs/__init__.py
dbgen/new_inputs/models.py
dbgen/new_inputs/objects.py
dbgen/new_inputs/relations.py
dbgen/scripts/__init__.py
dbgen/scripts/IO/__init__.py
dbgen/scripts/IO/anytraj.py
dbgen/scripts/IO/get_catalog_logfiles.py
dbgen/scripts/IO/get_catalog_logfiles_old.py
dbgen/scripts/IO/get_chargemol_logfiles.py
dbgen/scripts/IO/get_file.py
dbgen/scripts/IO/get_gpaw_logfiles.py
dbgen/scripts/IO/get_job_metadata.py
dbgen/scripts/IO/get_qe_logfiles.py
dbgen/scripts/IO/parse_chargemol.py
dbgen/scripts/IO/parse_keld.py
dbgen/scripts/IO/parse_mendeleev.py
dbgen/scripts/Pure/__init__.py
dbgen/scripts/Pure/Atoms/__init__.py
dbgen/scripts/Pure/Atoms/cell_info.py
dbgen/scripts/Pure/Atoms/get_atom.py
dbgen/scripts/Pure/Atoms/get_bulk.py
dbgen/scripts/Pure/Atoms/get_cell.py
dbgen/scripts/Pure/Atoms/get_miller.py
dbgen/scripts/Pure/Atoms/get_pointgroup.py
dbgen/scripts/Pure/Atoms/get_pure_struct.py
dbgen/scripts/Pure/Atoms/get_spacegroup.py
dbgen/scripts/Pure/Atoms/get_system_type.py
dbgen/scripts/Pure/Atoms/get_traj_gpaw.py
dbgen/scripts/Pure/Atoms/get_traj_gpaw_lazy.py
dbgen/scripts/Pure/Atoms/get_traj_qe.py
dbgen/scripts/Pure/Atoms/get_traj_qe_lazy.py
dbgen/scripts/Pure/Atoms/get_traj_vasp.py
dbgen/scripts/Pure/Atoms/get_traj_vasp_lazy.py
dbgen/scripts/Pure/Atoms/get_vacuum.py
dbgen/scripts/Pure/Atoms/get_voronoi.py
dbgen/scripts/Pure/Atoms/json_to_traj.py
dbgen/scripts/Pure/Atoms/mk_relaxed_surface.py
dbgen/scripts/Pure/Atoms/surface_bulkstruct.py
dbgen/scripts/Pure/Atoms/traj_to_json.py
dbgen/scripts/Pure/Graph/__init__.py
dbgen/scripts/Pure/Graph/geometric.py
dbgen/scripts/Pure/Graph/graph_to_json.py
dbgen/scripts/Pure/Graph/identify_ads.py
dbgen/scripts/Pure/Graph/json_to_graph.py
dbgen/scripts/Pure/Graph/layers.py
dbgen/scripts/Pure/Graph/mk_graph.py
dbgen/scripts/Pure/Graph/quickgraph.py
dbgen/scripts/Pure/Graph/solid_angle.py
dbgen/scripts/Pure/Load/__init__.py
dbgen/scripts/Pure/Load/get_catalog_ads.py
dbgen/scripts/Pure/Load/get_catalog_facet.py
dbgen/scripts/Pure/Load/get_cell_dofree.py
dbgen/scripts/Pure/Load/get_cell_factor.py
dbgen/scripts/Pure/Load/get_diag_gpaw.py
dbgen/scripts/Pure/Load/get_diag_qe.py
dbgen/scripts/Pure/Load/get_diag_vasp.py
dbgen/scripts/Pure/Load/get_dipol_gpaw.py
dbgen/scripts/Pure/Load/get_dipol_qe.py
dbgen/scripts/Pure/Load/get_dipol_vasp.py
dbgen/scripts/Pure/Load/get_dipole_gpaw.py
dbgen/scripts/Pure/Load/get_dipole_qe.py
dbgen/scripts/Pure/Load/get_dipole_vasp.py
dbgen/scripts/Pure/Load/get_dw.py
dbgen/scripts/Pure/Load/get_econv_gpaw.py
dbgen/scripts/Pure/Load/get_econv_qe.py
dbgen/scripts/Pure/Load/get_econv_vasp.py
dbgen/scripts/Pure/Load/get_fmax.py
dbgen/scripts/Pure/Load/get_gamma_gpaw.py
dbgen/scripts/Pure/Load/get_gamma_qe.py
dbgen/scripts/Pure/Load/get_gamma_vasp.py
dbgen/scripts/Pure/Load/get_kptden.py
dbgen/scripts/Pure/Load/get_kpts_gpaw.py
dbgen/scripts/Pure/Load/get_kpts_qe.py
dbgen/scripts/Pure/Load/get_kpts_vasp.py
dbgen/scripts/Pure/Load/get_maxstep_gpaw.py
dbgen/scripts/Pure/Load/get_maxstep_qe.py
dbgen/scripts/Pure/Load/get_maxstep_vasp.py
dbgen/scripts/Pure/Load/get_mixing_gpaw.py
dbgen/scripts/Pure/Load/get_mixing_qe.py
dbgen/scripts/Pure/Load/get_mixing_vasp.py
dbgen/scripts/Pure/Load/get_mixtype.py
dbgen/scripts/Pure/Load/get_nbands_gpaw.py
dbgen/scripts/Pure/Load/get_nbands_qe.py
dbgen/scripts/Pure/Load/get_nbands_vasp.py
dbgen/scripts/Pure/Load/get_nmix_gpaw.py
dbgen/scripts/Pure/Load/get_nmix_qe.py
dbgen/scripts/Pure/Load/get_nmix_vasp.py
dbgen/scripts/Pure/Load/get_sigma_gpaw.py
dbgen/scripts/Pure/Load/get_sigma_qe.py
dbgen/scripts/Pure/Load/get_sigma_vasp.py
dbgen/scripts/Pure/Load/get_spinpol_gpaw.py
dbgen/scripts/Pure/Load/get_spinpol_qe.py
dbgen/scripts/Pure/Load/get_spinpol_vasp.py
dbgen/scripts/Pure/Load/get_vasp_key.py
dbgen/scripts/Pure/Load/load_comp.py
dbgen/scripts/Pure/Load/normalize_psp.py
dbgen/scripts/Pure/Load/normalize_xc.py
dbgen/scripts/Pure/Load/parse_dftcode.py
dbgen/scripts/Pure/Load/parse_psp_gpaw.py
dbgen/scripts/Pure/Load/parse_psp_qe.py
dbgen/scripts/Pure/Load/parse_psp_vasp.py
dbgen/scripts/Pure/Load/parse_pw_gpaw.py
dbgen/scripts/Pure/Load/parse_pw_qe.py
dbgen/scripts/Pure/Load/parse_pw_vasp.py
dbgen/scripts/Pure/Load/parse_xc_gpaw.py
dbgen/scripts/Pure/Load/parse_xc_qe.py
dbgen/scripts/Pure/Load/parse_xc_vasp.py
dbgen/scripts/Pure/Load/populate_storage.py
dbgen/scripts/Pure/Misc/__init__.py
dbgen/scripts/Pure/Misc/box.py
dbgen/scripts/Pure/Misc/concat_map.py
dbgen/scripts/Pure/Misc/dftcode_dependent.py
dbgen/scripts/Pure/Misc/flatten.py
dbgen/scripts/Pure/Misc/get.py
dbgen/scripts/Pure/Misc/get_.py
dbgen/scripts/Pure/Misc/identity.py
dbgen/scripts/Pure/Misc/jsonloads.py
dbgen/scripts/Pure/Misc/map_.py
dbgen/scripts/Pure/Misc/pair.py
dbgen/scripts/Pure/Misc/pmg_to_ase.py
dbgen/scripts/Pure/Misc/triple.py
dbgen/scripts/Pure/Misc/undefined.py
dbgen/scripts/Pure/Misc/unzip.py
dbgen/scripts/Pure/Rxns/__init__.py
dbgen/scripts/Pure/Rxns/find_reference_rxns.py
dbgen/support/__init__.py
dbgen/support/create_meta.py
dbgen/support/extract_python.py
dbgen/support/sqlparsing.py
dbgen/support/utils.py
dbgen/support/datatypes/__init__.py
dbgen/support/datatypes/attr.py
dbgen/support/datatypes/constraint.py
dbgen/support/datatypes/datatypes.py
dbgen/support/datatypes/dbg.py
dbgen/support/datatypes/func.py
dbgen/support/datatypes/insertupdate.py
dbgen/support/datatypes/meta.py
dbgen/support/datatypes/metatemp.py
dbgen/support/datatypes/misc.py
dbgen/support/datatypes/model.py
dbgen/support/datatypes/object.py
dbgen/support/datatypes/relation.py
dbgen/support/datatypes/rule.py
dbgen/support/datatypes/sqltypes.py
dbgen/support/datatypes/table.py
dbgen/support/datatypes/temp.py