CLAUDE.md
LICENSE
MANIFEST.in
README.md
THIRD_PARTY_NOTICES.md
beta_testers.md
pyproject.toml
docs/CCDC.md
docs/CCDC_PLAN.md
docs/ISOSURFACES.md
docs/OPEN_ITEMS.md
docs/OPERATORS.md
docs/ORCA_WORKBENCH.md
docs/ROUND86_TESTING.md
docs/round39_zif_report.md
examples/ethanol.xyz
examples/water.xyz
examples/water_traj.xyz
molom/__init__.py
molom/__main__.py
molom.egg-info/PKG-INFO
molom.egg-info/SOURCES.txt
molom.egg-info/dependency_links.txt
molom.egg-info/entry_points.txt
molom.egg-info/requires.txt
molom.egg-info/top_level.txt
molom/addons/__init__.py
molom/addons/_csd_worker.py
molom/addons/_pipeline_host.py
molom/addons/csd_search.py
molom/addons/debug_pipeline.py
molom/addons/mol_properties.py
molom/addons/mopac_optimize.py
molom/addons/sandbox_pipeline.py
molom/core/__init__.py
molom/core/_obabel_worker.py
molom/core/addons.py
molom/core/align.py
molom/core/animation.py
molom/core/attachments.py
molom/core/background.py
molom/core/blender_export.py
molom/core/bondgraph.py
molom/core/bonding.py
molom/core/bruker.py
molom/core/build.py
molom/core/camera.py
molom/core/cameras.py
molom/core/cellbox.py
molom/core/celledit.py
molom/core/cellpose.py
molom/core/cif.py
molom/core/cif_write.py
molom/core/cifsearch.py
molom/core/coordination.py
molom/core/coplanar.py
molom/core/crop.py
molom/core/depict.py
molom/core/edits.py
molom/core/elements.py
molom/core/flight.py
molom/core/forcefield.py
molom/core/grid.py
molom/core/input_map.py
molom/core/internal.py
molom/core/interpolate.py
molom/core/io.py
molom/core/manipulate.py
molom/core/mathexpr.py
molom/core/measure.py
molom/core/meshes.py
molom/core/meta.py
molom/core/modifiers.py
molom/core/molprops.py
molom/core/molsearch.py
molom/core/occupancy.py
molom/core/ops.py
molom/core/orca.py
molom/core/orient.py
molom/core/packing.py
molom/core/picking.py
molom/core/pipeline.py
molom/core/polyhedra.py
molom/core/project.py
molom/core/provenance.py
molom/core/ptable.py
molom/core/pxrd.py
molom/core/pxrdfile.py
molom/core/resolve.py
molom/core/rotations.py
molom/core/sandbox.py
molom/core/scan.py
molom/core/scattering.py
molom/core/scene.py
molom/core/selection2d.py
molom/core/spacegroups.py
molom/core/structure.py
molom/core/style.py
molom/core/symmetry.py
molom/core/templates.py
molom/core/timeline.py
molom/core/undo.py
molom/core/vibrations.py
molom/resources/__init__.py
molom/resources/logo.svg
molom/resources/logo_128.png
molom/resources/logo_16.png
molom/resources/logo_24.png
molom/resources/logo_256.png
molom/resources/logo_32.png
molom/resources/logo_48.png
molom/resources/logo_64.png
molom/resources/molom.ico
molom/ui/__init__.py
molom/ui/addons_dialog.py
molom/ui/app.py
molom/ui/choice_popup.py
molom/ui/crystal_ribbon.py
molom/ui/debug_page.py
molom/ui/dialogs.py
molom/ui/dragcheck.py
molom/ui/optimize_panel.py
molom/ui/outliner.py
molom/ui/periodic_table.py
molom/ui/properties.py
molom/ui/pxrd_panel.py
molom/ui/sandbox_page.py
molom/ui/search_table.py
molom/ui/timeline_panel.py
molom/ui/toolbar.py
molom/ui/transform_panel.py
molom/ui/viewport.py
molom/ui/widgets.py
tests/conftest.py
tests/test_bonding.py
tests/test_camera_picking.py
tests/test_elements.py
tests/test_io.py
tests/test_manipulate_select2d.py
tests/test_round100_measured.py
tests/test_round102_docket.py
tests/test_round105_background.py
tests/test_round105b_fixes.py
tests/test_round106_keyframes.py
tests/test_round106_orca.py
tests/test_round106_scan.py
tests/test_round106b_pxrd.py
tests/test_round106c_batch.py
tests/test_round107_geometry.py
tests/test_round107c_batch.py
tests/test_round107d_batch.py
tests/test_round108_boundary_copies.py
tests/test_round108_csd_addon.py
tests/test_round108_csd_hygiene.py
tests/test_round108_provider_fetch.py
tests/test_round108_restricted_mark.py
tests/test_round108_sort_speed.py
tests/test_round108_supercell_bonds.py
tests/test_round109_cell_edit_pose.py
tests/test_round110_cell_pose.py
tests/test_round110d_test_pass.py
tests/test_round110f_transforms_shuttle.py
tests/test_round12_core.py
tests/test_round14_core.py
tests/test_round16_input.py
tests/test_round17_elements.py
tests/test_round17_labels.py
tests/test_round18_cif.py
tests/test_round18_editmode.py
tests/test_round19_meta.py
tests/test_round20_ui.py
tests/test_round21_tools.py
tests/test_round22_playback.py
tests/test_round22_timeline.py
tests/test_round23_timeline_panel.py
tests/test_round24_polyhedra.py
tests/test_round25_editing.py
tests/test_round25_symmetry.py
tests/test_round27_vibrations.py
tests/test_round28_templates.py
tests/test_round29_fixes.py
tests/test_round30_playback.py
tests/test_round31_hide_align.py
tests/test_round32_cell_input.py
tests/test_round34_ghosts.py
tests/test_round34_internal.py
tests/test_round34_ui.py
tests/test_round35_exterior.py
tests/test_round35_flight.py
tests/test_round35_ribbon.py
tests/test_round35_settings.py
tests/test_round36_twist.py
tests/test_round37_blender.py
tests/test_round38_chemistry.py
tests/test_round39_periodic_bonds.py
tests/test_round3_core.py
tests/test_round4.py
tests/test_round40_spacegroup.py
tests/test_round42_occupancy.py
tests/test_round42b_sweep.py
tests/test_round43_refused_bonds.py
tests/test_round43c_exterior.py
tests/test_round43d_symmetry_edit.py
tests/test_round43e_asym_edit.py
tests/test_round44_bondgraph.py
tests/test_round45_debug_pipeline.py
tests/test_round45_sandbox.py
tests/test_round46_addons.py
tests/test_round48_polyhedra.py
tests/test_round49_occupancy_display.py
tests/test_round50_cif_write.py
tests/test_round50_render.py
tests/test_round51_crystal_edit.py
tests/test_round52_crystal_edits.py
tests/test_round53_sheen.py
tests/test_round54_animation.py
tests/test_round55_keys.py
tests/test_round56_cameras.py
tests/test_round57_camera_view.py
tests/test_round59_release.py
tests/test_round60_batch.py
tests/test_round61_batch.py
tests/test_round62_batch.py
tests/test_round63_modes.py
tests/test_round64_export.py
tests/test_round65_startup.py
tests/test_round66_chase.py
tests/test_round67_chase_rework.py
tests/test_round68_celledit.py
tests/test_round6_core.py
tests/test_round70_fixes.py
tests/test_round71_docking.py
tests/test_round72_shuttle.py
tests/test_round73_mopac.py
tests/test_round74_mopac_freq.py
tests/test_round75_attachments.py
tests/test_round77_player.py
tests/test_round78_pane.py
tests/test_round80_reindex.py
tests/test_round81_overvalence.py
tests/test_round83_occupancy.py
tests/test_round84_cifsearch.py
tests/test_round86_outliner_sites.py
tests/test_round86_search_and_cellbox.py
tests/test_round87_asym_pies.py
tests/test_round87_favourites.py
tests/test_round88_image_export.py
tests/test_round89_lens.py
tests/test_round90_dialog.py
tests/test_round90_molsearch.py
tests/test_round90_outline.py
tests/test_round90_properties.py
tests/test_round91_multi_crystal.py
tests/test_round91_rigid_symmetry.py
tests/test_round92_fixes.py
tests/test_round92_owb.py
tests/test_round94_pxrd.py
tests/test_round95_checklist.py
tests/test_round95_pxrd_ui.py
tests/test_round96_pxrd_window.py
tests/test_round99_packed_edits.py
tests/test_round9_core.py
tests/test_scene_ops.py
tests/test_structure_edits.py
tests/test_style_meshes.py
tests/data/cod_1547149_solid_solution.cif
tests/data/cod_2101932_ferrocene.cif
tests/data/mopac_pm7_methanol_force.out
tests/data/mopac_pm7_water.out
tests/data/mopac_pm7_water_force.out
tests/data/orca_freq_h3po4.out
tests/data/pubchem_pugview_aspirin.json
tests/data/pubchem_pugview_cassipourine_computed.json
tools/gen_elements.py
tools/gen_scattering.py
tools/screenshots.py
tools/smoke_gui.py
tools/startup_profile.py
tools/avogadro_data/elementdata.h