README.md
setup.py
src/sage_lib/__init__.py
src/sage_lib/main.py
src/sage_lib.egg-info/PKG-INFO
src/sage_lib.egg-info/SOURCES.txt
src/sage_lib.egg-info/dependency_links.txt
src/sage_lib.egg-info/entry_points.txt
src/sage_lib.egg-info/requires.txt
src/sage_lib.egg-info/top_level.txt
src/sage_lib/IO/BashScriptManager.py
src/sage_lib/IO/BinaryDataHandler.py
src/sage_lib/IO/ChargeFileManager.py
src/sage_lib/IO/DOSManager.py
src/sage_lib/IO/EigenvalueFileManager.py
src/sage_lib/IO/ForceFieldManager.py
src/sage_lib/IO/KPointsManager.py
src/sage_lib/IO/OutFileManager.py
src/sage_lib/IO/PROFileManager.py
src/sage_lib/IO/PotentialManager.py
src/sage_lib/IO/WaveFileManager.py
src/sage_lib/IO/__init__.py
src/sage_lib/IO/hybrid_db_remove.py
src/sage_lib/IO/storage_backend.py
src/sage_lib/IO/input_handling_tools/InputClassic.py
src/sage_lib/IO/input_handling_tools/InputDFT.py
src/sage_lib/IO/input_handling_tools/InputDFTB.py
src/sage_lib/IO/input_handling_tools/InputFile.py
src/sage_lib/IO/input_handling_tools/InputFileManager.py
src/sage_lib/IO/input_handling_tools/__init__.py
src/sage_lib/IO/storage/__init__.py
src/sage_lib/IO/storage/backend.py
src/sage_lib/IO/storage/composite.py
src/sage_lib/IO/storage/hybrid.py
src/sage_lib/IO/storage/maintenance.py
src/sage_lib/IO/storage/memory.py
src/sage_lib/IO/storage/sqlite.py
src/sage_lib/IO/storage/tools.py
src/sage_lib/IO/structure_handling_tools/AtomPosition.py
src/sage_lib/IO/structure_handling_tools/AtomPositionLoader.py
src/sage_lib/IO/structure_handling_tools/AtomPositionMaker.py
src/sage_lib/IO/structure_handling_tools/AtomPositionManager.py
src/sage_lib/IO/structure_handling_tools/AtomPositionOperator.py
src/sage_lib/IO/structure_handling_tools/NonPeriodicSystem.py
src/sage_lib/IO/structure_handling_tools/PeriodicSystem.py
src/sage_lib/IO/structure_handling_tools/__init__.py
src/sage_lib/IO/structure_handling_tools/plot.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/AIMS.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/ASE.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/CIF.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/DUMP.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/GAUSSIAN.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/GEN.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/LAMMPS.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/PDB.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/POSCAR.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/SI.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/XYZ.py
src/sage_lib/IO/structure_handling_tools/structural_file_readers/__init__.py
src/sage_lib/descriptor/MBTR.py
src/sage_lib/descriptor/MDTR_rev.py
src/sage_lib/descriptor/__init__.py
src/sage_lib/ensemble/Ensemble.py
src/sage_lib/ensemble/__init__.py
src/sage_lib/master/AtomicProperties.py
src/sage_lib/master/FileManager.py
src/sage_lib/master/__init__.py
src/sage_lib/miscellaneous/BandPathGenerator.py
src/sage_lib/miscellaneous/MD_tools.py
src/sage_lib/miscellaneous/SOAP.py
src/sage_lib/miscellaneous/SOAP_tools.py
src/sage_lib/miscellaneous/__init__.py
src/sage_lib/miscellaneous/data_mining.py
src/sage_lib/miscellaneous/get_bravais_lattice.py
src/sage_lib/miscellaneous/marching_cubes.py
src/sage_lib/miscellaneous/math_tools.py
src/sage_lib/miscellaneous/periodic_kdtree.py
src/sage_lib/miscellaneous/periodic_kdtree_C.py
src/sage_lib/miscellaneous/periodic_kdtree_legacy.py
src/sage_lib/miscellaneous/potentials.py
src/sage_lib/miscellaneous/hdbscan/__init__.py
src/sage_lib/miscellaneous/hdbscan/branches.py
src/sage_lib/miscellaneous/hdbscan/flat.py
src/sage_lib/miscellaneous/hdbscan/hdbscan_.py
src/sage_lib/miscellaneous/hdbscan/plots.py
src/sage_lib/miscellaneous/hdbscan/prediction.py
src/sage_lib/miscellaneous/hdbscan/robust_single_linkage_.py
src/sage_lib/miscellaneous/hdbscan/validity.py
src/sage_lib/miscellaneous/hdbscan/tests/__init__.py
src/sage_lib/miscellaneous/hdbscan/tests/test_branches.py
src/sage_lib/miscellaneous/hdbscan/tests/test_flat.py
src/sage_lib/miscellaneous/hdbscan/tests/test_hdbscan.py
src/sage_lib/miscellaneous/hdbscan/tests/test_prediction_utils.py
src/sage_lib/miscellaneous/hdbscan/tests/test_rsl.py
src/sage_lib/partition/Partition.py
src/sage_lib/partition/PartitionManager.py
src/sage_lib/partition/__init__.py
src/sage_lib/partition/partition_analysis/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/electrochemical.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/feature_analysis.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/feature_explanation.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/feature_reduction.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/model_evaluation.py
src/sage_lib/partition/partition_analysis/featurizer/analysis/xgb_postanalysis.py
src/sage_lib/partition/partition_analysis/featurizer/core/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/core/featurizer.py
src/sage_lib/partition/partition_analysis/featurizer/core/graph_builder.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/chemistry.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/correlation.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/order.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/percolation.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/spectral.py
src/sage_lib/partition/partition_analysis/featurizer/core/descriptors/topology.py
src/sage_lib/partition/partition_analysis/featurizer/examples/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/examples/demo_chemical_analysis.py
src/sage_lib/partition/partition_analysis/featurizer/examples/demo_general_analysis.py
src/sage_lib/partition/partition_analysis/featurizer/examples/simple_extractor.py
src/sage_lib/partition/partition_analysis/featurizer/tests/__init__.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_descriptors.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_discriminative.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_electrochemical.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_explanation.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_feature_reduction.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_feature_reduction_handles.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_featurizer.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_featurizer_vib.py
src/sage_lib/partition/partition_analysis/featurizer/tests/test_graph.py
src/sage_lib/partition/partition_builder/AbInitioThermodynamics_builder.py
src/sage_lib/partition/partition_builder/BandStructure_builder.py
src/sage_lib/partition/partition_builder/BasePartition.py
src/sage_lib/partition/partition_builder/Blender_builder.py
src/sage_lib/partition/partition_builder/Conductivity_builder.py
src/sage_lib/partition/partition_builder/Config_builder.py
src/sage_lib/partition/partition_builder/CrystalDefect_builder.py
src/sage_lib/partition/partition_builder/Crystal_builder.py
src/sage_lib/partition/partition_builder/Extract_builder.py
src/sage_lib/partition/partition_builder/Filter_builder.py
src/sage_lib/partition/partition_builder/Metadata_builder.py
src/sage_lib/partition/partition_builder/MolecularDynamic_builder.py
src/sage_lib/partition/partition_builder/MoleculeCluster_builder.py
src/sage_lib/partition/partition_builder/Molecule_builder.py
src/sage_lib/partition/partition_builder/Network_builder.py
src/sage_lib/partition/partition_builder/Plot_builder.py
src/sage_lib/partition/partition_builder/PositionEditor_builder.py
src/sage_lib/partition/partition_builder/SurfaceStates_builder.py
src/sage_lib/partition/partition_builder/VacuumStates_builder.py
src/sage_lib/partition/partition_builder/__init__.py
src/sage_lib/single_run/FF_Gap.py
src/sage_lib/single_run/SingleRun.py
src/sage_lib/single_run/SingleRunDFT.py
src/sage_lib/single_run/SingleRunManager.py
src/sage_lib/single_run/__init__.py
src/sage_lib/visualization/PartitionProvider.py
src/sage_lib/visualization/__init__.py
src/sage_lib/visualization/browser.py
src/sage_lib/visualization/camera.py
src/sage_lib/visualization/constants.py
src/sage_lib/visualization/scene.py
src/sage_lib/visualization/visualizer.py
src/sage_lib/visualization/analysis/__init__.py
src/sage_lib/visualization/analysis/coordination.py
src/sage_lib/visualization/analysis/geometry.py
src/sage_lib/visualization/analysis/hbonds.py
src/sage_lib/visualization/analysis/rdf.py
src/sage_lib/visualization/analysis/tb_visualization.py
src/sage_lib/visualization/analysis/tight_binding.py
src/sage_lib/visualization/analysis/volumetric.py
src/sage_lib/visualization/analysis/voronoi.py
src/sage_lib/visualization/io/__init__.py
src/sage_lib/visualization/io/exporters.py
src/sage_lib/visualization/io/providers.py
src/sage_lib/visualization/modules/__init__.py
src/sage_lib/visualization/modules/ezga_analysis.py
src/sage_lib/visualization/renderer/__init__.py
src/sage_lib/visualization/renderer/bond_renderer.py
src/sage_lib/visualization/renderer/line_renderer.py
src/sage_lib/visualization/renderer/picking_renderer.py
src/sage_lib/visualization/renderer/post_process.py
src/sage_lib/visualization/renderer/shaders.py
src/sage_lib/visualization/renderer/sphere_renderer.py
src/sage_lib/visualization/renderer/utils.py
src/sage_lib/visualization/renderer/volume_renderer.py
src/sage_lib/visualization/ui/__init__.py
src/sage_lib/visualization/ui/plots.py
test/test_KDTREE.py
test/test_KDTREE_eff.py
test/test_apm_aliases.py
test/test_bulk_insert.py
test/test_faiss_comprehensive.py
test/test_faiss_hybrid.py
test/test_faiss_multivector_stress.py
test/test_faiss_sweep.py
test/test_hybrid_bulk.py
test/test_molecule_adsorbate.py
test/test_partition_faiss.py
test/test_periodic_kdtree.py
test/test_periodic_mesh.py
test/test_read_xyz_bulk.py
test/test_triclinic_overlaps.py
test/test_vacuum_box.py