CHANGELOG.md
CMakeLists.txt
CMakeLists.txt.in
LICENSE
MANIFEST.in
README.md
build_requirements.txt
dev_requirements.txt
doc_requirements.txt
make_CMakeLists.py
pre-commit
pyproject.toml
setup.py
stylize.sh
test_requirements.txt
cmake/CASMcode_crystallographyConfig.cmake.in
doc/customdoxygen.css
doc/doxygen_config
include/casm/crystallography/Adapter.hh
include/casm/crystallography/AnisoValTraits.hh
include/casm/crystallography/BasicStructure.hh
include/casm/crystallography/BasicStructureTools.hh
include/casm/crystallography/CanonicalForm.hh
include/casm/crystallography/Coordinate.hh
include/casm/crystallography/CoordinateSystems.hh
include/casm/crystallography/DoFDecl.hh
include/casm/crystallography/DoFSet.hh
include/casm/crystallography/HermiteCounter.hh
include/casm/crystallography/IntegralCoordinateWithin.hh
include/casm/crystallography/Lattice.hh
include/casm/crystallography/LatticeIsEquivalent.hh
include/casm/crystallography/LatticeMap.hh
include/casm/crystallography/LinearIndexConverter.hh
include/casm/crystallography/Molecule.hh
include/casm/crystallography/Niggli.hh
include/casm/crystallography/OccupantDoFIsEquivalent.hh
include/casm/crystallography/SimpleStrucMapCalculator.hh
include/casm/crystallography/SimpleStructure.hh
include/casm/crystallography/SimpleStructureTools.hh
include/casm/crystallography/Site.hh
include/casm/crystallography/SpeciesProperty.hh
include/casm/crystallography/Strain.hh
include/casm/crystallography/StrainConverter.hh
include/casm/crystallography/StrucMapCalculatorInterface.hh
include/casm/crystallography/StrucMapping.hh
include/casm/crystallography/Superlattice.hh
include/casm/crystallography/SuperlatticeEnumerator.hh
include/casm/crystallography/SymInfo.hh
include/casm/crystallography/SymRepBuilder.hh
include/casm/crystallography/SymTools.hh
include/casm/crystallography/SymType.hh
include/casm/crystallography/SymTypeComparator.hh
include/casm/crystallography/UnitCellCoord.hh
include/casm/crystallography/UnitCellCoordRep.hh
include/casm/crystallography/UnitCellCoordTraits.hh
include/casm/crystallography/version.hh
include/casm/crystallography/io/BasicStructureIO.hh
include/casm/crystallography/io/DoFSetIO.hh
include/casm/crystallography/io/LatticeIO.hh
include/casm/crystallography/io/SimpleStructureIO.hh
include/casm/crystallography/io/SuperlatticeEnumeratorIO.hh
include/casm/crystallography/io/SymInfo_json_io.hh
include/casm/crystallography/io/SymInfo_stream_io.hh
include/casm/crystallography/io/UnitCellCoordIO.hh
include/casm/crystallography/io/VaspIO.hh
include/casm/crystallography/io/jsonStruc.hh
python/pyproject.toml
python/setup.py
python/doc/.gitignore
python/doc/bibliography.rst
python/doc/conf.py
python/doc/index.rst
python/doc/installation.rst
python/doc/refs.bib
python/doc/usage.rst
python/doc/_static/logo.pdf
python/doc/_static/logo.svg
python/doc/_static/small_logo.pdf
python/doc/_static/small_logo.svg
python/doc/_static/css/custom.css
python/doc/_templates/base.rst
python/doc/_templates/custom-attr-template.rst
python/doc/_templates/custom-class-template.rst
python/doc/_templates/custom-function-template.rst
python/doc/_templates/custom-module-template.rst
python/doc/examples/prim/coupled.rst
python/doc/examples/prim/disp.rst
python/doc/examples/prim/index.rst
python/doc/examples/prim/magspin.rst
python/doc/examples/prim/occ.rst
python/doc/examples/prim/strain.rst
python/doc/examples/prim/json/ZrO_prim.json
python/doc/examples/prim/json/simple_cubic_Hstrain.json
python/doc/examples/prim/json/simple_cubic_Hstrain_symadapted.json
python/doc/examples/prim/json/simple_cubic_SOmagspin.json
python/doc/examples/prim/json/simple_cubic_binary.json
python/doc/examples/prim/json/simple_cubic_coupled.json
python/doc/examples/prim/json/simple_cubic_disp.json
python/doc/examples/prim/json/simple_cubic_ising.json
python/doc/reference/libcasm/index.rst
python/doc/usage/lattice.rst
python/doc/usage/prim.rst
python/doc/usage/structure.rst
python/doc/usage/superlattice.rst
python/examples/prim/ZrO_prim.py
python/examples/prim/simple_cubic_Hstrain.py
python/examples/prim/simple_cubic_Hstrain_symadapted.py
python/examples/prim/simple_cubic_SOmagspin.py
python/examples/prim/simple_cubic_binary.py
python/examples/prim/simple_cubic_coupled.py
python/examples/prim/simple_cubic_disp.py
python/examples/prim/simple_cubic_ising.py
python/libcasm/xtal/__init__.py
python/libcasm/xtal/lattices.py
python/libcasm/xtal/prims.py
python/libcasm/xtal/structures.py
python/libcasm_xtal.egg-info/PKG-INFO
python/libcasm_xtal.egg-info/SOURCES.txt
python/libcasm_xtal.egg-info/dependency_links.txt
python/libcasm_xtal.egg-info/requires.txt
python/libcasm_xtal.egg-info/top_level.txt
python/src/xtal.cpp
python/tests/conftest.py
python/tests/test_dofsetbasis.py
python/tests/test_enumerate_superlattices.py
python/tests/test_integral_site_coordinate.py
python/tests/test_lattice.py
python/tests/test_lattices.py
python/tests/test_methods.py
python/tests/test_prim.py
python/tests/test_prims.py
python/tests/test_siteindexconverter.py
python/tests/test_strainconverter.py
python/tests/test_structure.py
python/tests/test_structures.py
python/tests/test_syminfo.py
python/tests/test_symop.py
python/tests/test_unitcellindexconverter.py
python/tests/data/lial.vasp
src/casm/crystallography/AnisoValTraits.cc
src/casm/crystallography/BasicStructure.cc
src/casm/crystallography/BasicStructureTools.cc
src/casm/crystallography/CanonicalForm.cc
src/casm/crystallography/Coordinate.cc
src/casm/crystallography/CoordinateSystems.cc
src/casm/crystallography/DoFSet.cc
src/casm/crystallography/HermiteCounter.cc
src/casm/crystallography/IntegralCoordinateWithin.cc
src/casm/crystallography/Lattice.cc
src/casm/crystallography/LatticeIsEquivalent.cc
src/casm/crystallography/LatticeMap.cc
src/casm/crystallography/LinearIndexConverter.cc
src/casm/crystallography/Molecule.cc
src/casm/crystallography/Niggli.cc
src/casm/crystallography/OccupantDoFIsEquivalent.cc
src/casm/crystallography/SimpleStrucMapCalculator.cc
src/casm/crystallography/SimpleStructure.cc
src/casm/crystallography/SimpleStructureTools.cc
src/casm/crystallography/Site.cc
src/casm/crystallography/SpeciesProperty.cc
src/casm/crystallography/Strain.cc
src/casm/crystallography/StrainConverter.cc
src/casm/crystallography/StrucMapping.cc
src/casm/crystallography/Superlattice.cc
src/casm/crystallography/SuperlatticeEnumerator.cc
src/casm/crystallography/SymInfo.cc
src/casm/crystallography/SymTools.cc
src/casm/crystallography/SymType.cc
src/casm/crystallography/SymTypeComparator.cc
src/casm/crystallography/UnitCellCoord.cc
src/casm/crystallography/UnitCellCoordRep.cc
src/casm/crystallography/UnitCellCoordTraits.cc
src/casm/crystallography/version.cc
src/casm/crystallography/io/BasicStructureIO.cc
src/casm/crystallography/io/DoFSetIO.cc
src/casm/crystallography/io/LatticeIO.cc
src/casm/crystallography/io/SimpleStructureIO.cc
src/casm/crystallography/io/SuperlatticeEnumeratorIO.cc
src/casm/crystallography/io/SymInfo_json_io.cc
src/casm/crystallography/io/SymInfo_stream_io.cc
src/casm/crystallography/io/UnitCellCoordIO.cc
src/casm/crystallography/io/VaspIO.cc
tests/CMakeLists.txt
tests/CMakeLists.txt.in
tests/unit/Common.cpp
tests/unit/Common.hh
tests/unit/TestStructures.hh
tests/unit/autotools.cc
tests/unit/autotools.hh
tests/unit/gtest_main_run_all.cpp
tests/unit/testdir.cc
tests/unit/testdir.hh
tests/unit/crystallography/AnisoValTraits_test.cpp
tests/unit/crystallography/BasicStructureIO_test.cpp
tests/unit/crystallography/BasicStructureTools_test.cpp
tests/unit/crystallography/BasicStructure_test.cpp
tests/unit/crystallography/Coordinate_test.cpp
tests/unit/crystallography/FactorGroupConsistency_test.cpp
tests/unit/crystallography/HermiteCounter_test.cpp
tests/unit/crystallography/IntegralCoordinateWithin_test.cpp
tests/unit/crystallography/Lattice_test.cpp
tests/unit/crystallography/LinearIndexConverter_test.cpp
tests/unit/crystallography/Molecule_test.cpp
tests/unit/crystallography/Niggli_test.cpp
tests/unit/crystallography/SimpleStructureIO_test.cpp
tests/unit/crystallography/SimpleStructure_test.cpp
tests/unit/crystallography/Site_test.cpp
tests/unit/crystallography/SuperlatticeEnumerator_test.cpp
tests/unit/crystallography/SymInfo_test.cpp
tests/unit/crystallography/SymRepBuilder_test.cpp
tests/unit/crystallography/SymType_test.cpp
tests/unit/crystallography/UnitCellCoord_test.cpp
tests/unit/crystallography/version_test.cpp
tests/unit/crystallography/data/POS1.txt
tests/unit/crystallography/data/PRIM1.txt
tests/unit/crystallography/data/PRIM2.txt
tests/unit/crystallography/data/PRIM3.txt
tests/unit/crystallography/data/PRIM4.txt
tests/unit/crystallography/data/hcp_mg.vasp
tests/unit/crystallography/data/hcp_stack3.vasp
tests/unit/crystallography/data/structure_1.json