LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
lib/voro++/c_loops.cc
lib/voro++/c_loops.hh
lib/voro++/cell.cc
lib/voro++/cell.hh
lib/voro++/cmd_line.cc
lib/voro++/common.cc
lib/voro++/common.hh
lib/voro++/config.hh
lib/voro++/container.cc
lib/voro++/container.hh
lib/voro++/container_prd.cc
lib/voro++/container_prd.hh
lib/voro++/pre_container.cc
lib/voro++/pre_container.hh
lib/voro++/rad_option.hh
lib/voro++/unitcell.cc
lib/voro++/unitcell.hh
lib/voro++/v_base.cc
lib/voro++/v_base.hh
lib/voro++/v_base_wl.cc
lib/voro++/v_compute.cc
lib/voro++/v_compute.hh
lib/voro++/voro++.cc
lib/voro++/voro++.hh
lib/voro++/wall.cc
lib/voro++/wall.hh
lib/voro++/worklist.hh
src/pyscal3/__init__.py
src/pyscal3/ase.py
src/pyscal3/atoms.py
src/pyscal3/attributes.py
src/pyscal3/centrosymmetry.cpp
src/pyscal3/cna.cpp
src/pyscal3/core.py
src/pyscal3/csl.py
src/pyscal3/entropy.cpp
src/pyscal3/grain_boundary.py
src/pyscal3/misc.py
src/pyscal3/neighbor.cpp
src/pyscal3/routines.py
src/pyscal3/sh.cpp
src/pyscal3/solids.cpp
src/pyscal3/structure_creator.py
src/pyscal3/system.h
src/pyscal3/system_binding.cpp
src/pyscal3/traj_process.py
src/pyscal3/trajectory.py
src/pyscal3/visualization.py
src/pyscal3/voronoi.cpp
src/pyscal3.egg-info/PKG-INFO
src/pyscal3.egg-info/SOURCES.txt
src/pyscal3.egg-info/dependency_links.txt
src/pyscal3.egg-info/not-zip-safe
src/pyscal3.egg-info/requires.txt
src/pyscal3.egg-info/top_level.txt
src/pyscal3/data/annotations.yaml
src/pyscal3/data/element_data.yaml
src/pyscal3/data/structure_data.yaml
src/pyscal3/formats/__init__.py
src/pyscal3/formats/ase.py
src/pyscal3/formats/lammps.py
src/pyscal3/formats/mdtraj.py
src/pyscal3/formats/vasp.py
src/pyscal3/operations/__init__.py
src/pyscal3/operations/calculations.py
src/pyscal3/operations/centrosymmetry.py
src/pyscal3/operations/chemical.py
src/pyscal3/operations/cna.py
src/pyscal3/operations/entropy.py
src/pyscal3/operations/identify.py
src/pyscal3/operations/input.py
src/pyscal3/operations/neighbor.py
src/pyscal3/operations/operations.py
src/pyscal3/operations/serialize.py
src/pyscal3/operations/symmetry.py
src/pyscal3/operations/visualize.py
src/pyscal3/operations/voronoi.py
tests/test_angular.py
tests/test_ase.py
tests/test_centro.py
tests/test_chiparams.py
tests/test_cna.py
tests/test_crystal_structures.py
tests/test_delete.py
tests/test_disorder.py
tests/test_entropy.py
tests/test_masking.py
tests/test_neighbors.py
tests/test_nucsize.py
tests/test_q12.py
tests/test_q3.py
tests/test_q_system.py
tests/test_rdf.py
tests/test_read_file.py
tests/test_sro.py
tests/test_symmetry.py
tests/test_system.py
tests/test_traj_process.py
tests/test_trajectory.py
tests/test_voronoi.py