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_clexmonteConfig.cmake.in
doc/customdoxygen.css
doc/doxygen_config
include/casm/clexmonte/definitions.hh
include/casm/clexmonte/canonical/canonical.hh
include/casm/clexmonte/canonical/canonical_impl.hh
include/casm/clexmonte/canonical/canonical_json_io.hh
include/casm/clexmonte/events/AllowedEventList.hh
include/casm/clexmonte/events/CompleteEventList.hh
include/casm/clexmonte/events/ImpactTable.hh
include/casm/clexmonte/events/event_data.hh
include/casm/clexmonte/events/event_methods.hh
include/casm/clexmonte/events/lotto.hh
include/casm/clexmonte/events/io/json/event_data_json_io.hh
include/casm/clexmonte/events/io/stream/EventState_stream_io.hh
include/casm/clexmonte/events/lotto/event_rate_tree.hpp
include/casm/clexmonte/events/lotto/event_rate_tree_impl.hpp
include/casm/clexmonte/events/lotto/event_selector.hpp
include/casm/clexmonte/events/lotto/random.hpp
include/casm/clexmonte/events/lotto/rejection.hpp
include/casm/clexmonte/events/lotto/rejection_free.hpp
include/casm/clexmonte/events/lotto/sum_tree.hpp
include/casm/clexmonte/events/lotto/sum_tree_impl.hpp
include/casm/clexmonte/kinetic/kinetic.hh
include/casm/clexmonte/kinetic/kinetic_events.hh
include/casm/clexmonte/kinetic/kinetic_impl.hh
include/casm/clexmonte/kinetic/kinetic_json_io.hh
include/casm/clexmonte/kinetic/io/json/EventState_json_io.hh
include/casm/clexmonte/kinetic/io/stream/EventState_stream_io.hh
include/casm/clexmonte/methods/kinetic_monte_carlo.hh
include/casm/clexmonte/methods/occupation_metropolis.hh
include/casm/clexmonte/misc/Matrix3lCompare.hh
include/casm/clexmonte/misc/diffusion_calculations.hh
include/casm/clexmonte/misc/eigen.hh
include/casm/clexmonte/misc/parse_array.hh
include/casm/clexmonte/misc/subparse_from_file.hh
include/casm/clexmonte/misc/to_json.hh
include/casm/clexmonte/monte_calculator/BaseMonteCalculator.hh
include/casm/clexmonte/monte_calculator/BaseMonteEventData.hh
include/casm/clexmonte/monte_calculator/KineticCalculator.hh
include/casm/clexmonte/monte_calculator/MonteCalculator.hh
include/casm/clexmonte/monte_calculator/MonteEventData.hh
include/casm/clexmonte/monte_calculator/StateData.hh
include/casm/clexmonte/monte_calculator/analysis_functions.hh
include/casm/clexmonte/monte_calculator/kinetic_events.hh
include/casm/clexmonte/monte_calculator/kinetic_sampling_functions.hh
include/casm/clexmonte/monte_calculator/modifying_functions.hh
include/casm/clexmonte/monte_calculator/sampling_functions.hh
include/casm/clexmonte/monte_calculator/selected_event_functions.hh
include/casm/clexmonte/monte_calculator/io/json/MonteCalculator_json_io.hh
include/casm/clexmonte/nfold/nfold.hh
include/casm/clexmonte/nfold/nfold_events.hh
include/casm/clexmonte/nfold/nfold_impl.hh
include/casm/clexmonte/nfold/nfold_json_io.hh
include/casm/clexmonte/run/ConfigGenerator.hh
include/casm/clexmonte/run/FixedConfigGenerator.hh
include/casm/clexmonte/run/IncrementalConditionsStateGenerator.hh
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include/casm/clexmonte/run/StateGenerator.hh
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include/casm/clexmonte/semigrand_canonical/calculator.hh
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include/casm/clexmonte/semigrand_canonical/event_generator.hh
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include/casm/clexmonte/state/CorrMatchingPotential.hh
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include/casm/clexmonte/system/System.hh
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include/casm/clexmonte/system/io/json/System_json_io.hh
include/casm/clexmonte/system/io/json/system_data_json_io.hh
python/pyproject.toml
python/setup.py
python/doc/.gitignore
python/doc/README.md
python/doc/about.rst
python/doc/bibliography.rst
python/doc/conf.py
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python/libcasm/clexmonte/_MonteCalculator.py
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python/libcasm_clexmonte.egg-info/PKG-INFO
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python/tests/conftest.py
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python/tests/data/Clex_ZrO_Occ/formation_energy_eci.json
python/tests/data/Clex_ZrO_Occ/input_1.json
python/tests/data/Clex_ZrO_Occ/prim.json
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python/tests/data/FCC_binary_vacancy/kinetic_sampling.period1.json
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python/tests/data/FCC_binary_vacancy/basis_sets/bset.A_Va_1NN/5/FCC_binary_vacancy_Clexulator_A_Va_1NN_5.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/FCC_binary_vacancy_Clexulator_B_Va_1NN.cc
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python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/bspecs.json
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/clust.json
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/equivalents_info.json
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/0/FCC_binary_vacancy_Clexulator_B_Va_1NN_0.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/1/FCC_binary_vacancy_Clexulator_B_Va_1NN_1.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/2/FCC_binary_vacancy_Clexulator_B_Va_1NN_2.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/3/FCC_binary_vacancy_Clexulator_B_Va_1NN_3.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/4/FCC_binary_vacancy_Clexulator_B_Va_1NN_4.cc
python/tests/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/5/FCC_binary_vacancy_Clexulator_B_Va_1NN_5.cc
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python/tests/data/FCC_binary_vacancy/kmc_events/event_system.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/event.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/freq_eci.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/kra_eci.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/event.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/freq_eci.json
python/tests/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/kra_eci.json
python/tests/functions/test_enforce_composition.py
python/tests/kinetic/test_KineticCalculator.py
python/tests/kinetic/test_MonteEventData.py
python/tests/kinetic/test_PrimEventData.py
python/tests/kinetic/test_make_canonical_initial_state.py
python/tests/run_management/conftest.py
python/tests/run_management/test_RunManager.py
python/tests/run_management/test_SamplingFixtureParams.py
python/tests/run_management/test_run_series.py
python/tests/semigrand_canonical/__init__.py
python/tests/semigrand_canonical/test_SemiGrandCanonicalCalculator.py
python/tests/semigrand_canonical/test_make_initial_state.py
python/tests/state/conftest.py
python/tests/state/test_MonteCarloState.py
python/tests/system/test_System.py
src/casm/clexmonte/canonical/canonical.cc
src/casm/clexmonte/events/AllowedEventList.cc
src/casm/clexmonte/events/CompleteEventList.cc
src/casm/clexmonte/events/ImpactTable.cc
src/casm/clexmonte/events/event_data.cc
src/casm/clexmonte/events/event_methods.cc
src/casm/clexmonte/events/io/json/event_data_json_io.cc
src/casm/clexmonte/events/io/stream/EventState_stream_io.cc
src/casm/clexmonte/kinetic/kinetic.cc
src/casm/clexmonte/kinetic/kinetic_events.cc
src/casm/clexmonte/kinetic/io/json/EventState_json_io.cc
src/casm/clexmonte/kinetic/io/stream/EventState_stream_io.cc
src/casm/clexmonte/monte_calculator/BaseMonteCalculator.cc
src/casm/clexmonte/monte_calculator/CanonicalCalculator.cc
src/casm/clexmonte/monte_calculator/KineticCalculator.cc
src/casm/clexmonte/monte_calculator/MonteCalculator.cc
src/casm/clexmonte/monte_calculator/MonteEventData.cc
src/casm/clexmonte/monte_calculator/SemiGrandCanonicalCalculator.cc
src/casm/clexmonte/monte_calculator/StateData.cc
src/casm/clexmonte/monte_calculator/analysis_functions.cc
src/casm/clexmonte/monte_calculator/kinetic_events.cc
src/casm/clexmonte/monte_calculator/kinetic_sampling_functions.cc
src/casm/clexmonte/monte_calculator/sampling_functions.cc
src/casm/clexmonte/monte_calculator/selected_event_functions.cc
src/casm/clexmonte/monte_calculator/io/json/MonteCalculator_json_io.cc
src/casm/clexmonte/nfold/nfold.cc
src/casm/clexmonte/nfold/nfold_events.cc
src/casm/clexmonte/run/io/convariance_functions.cc
src/casm/clexmonte/run/io/json/ConfigGenerator_json_io.cc
src/casm/clexmonte/run/io/json/RunParams_json_io.cc
src/casm/clexmonte/run/io/json/StateGenerator_json_io.cc
src/casm/clexmonte/semigrand_canonical/calculator.cc
src/casm/clexmonte/semigrand_canonical/potential.cc
src/casm/clexmonte/state/Conditions.cc
src/casm/clexmonte/state/CorrMatchingPotential.cc
src/casm/clexmonte/state/LocalOrbitCompositionCalculator.cc
src/casm/clexmonte/state/make_conditions.cc
src/casm/clexmonte/state/io/json/CorrMatchingPotential_json_io.cc
src/casm/clexmonte/state/io/json/State_json_io.cc
src/casm/clexmonte/state/io/json/parse_conditions.cc
src/casm/clexmonte/system/System.cc
src/casm/clexmonte/system/system_data.cc
src/casm/clexmonte/system/io/json/System_json_io.cc
src/casm/clexmonte/system/io/json/system_data_json_io.cc
tests/CMakeLists.txt
tests/CMakeLists.txt.in
tests/unit/KMCCompleteEventCalculatorTestSystem.cc
tests/unit/KMCCompleteEventCalculatorTestSystem.hh
tests/unit/KMCCompleteEventListTestSystem.cc
tests/unit/KMCCompleteEventListTestSystem.hh
tests/unit/KMCTestSystem.cc
tests/unit/KMCTestSystem.hh
tests/unit/ZrOTestSystem.cc
tests/unit/ZrOTestSystem.hh
tests/unit/autotools.cc
tests/unit/autotools.hh
tests/unit/gtest_main_run_all.cpp
tests/unit/misc.hh
tests/unit/testdir.cc
tests/unit/testdir.hh
tests/unit/teststructures.hh
tests/unit/clexmonte/canonical_RunParams_json_io_test.cpp
tests/unit/clexmonte/canonical_conditions_test.cpp
tests/unit/clexmonte/canonical_fullrun_test.cpp
tests/unit/clexmonte/canonical_metropolis_test.cpp
tests/unit/clexmonte/canonical_run_test.cpp
tests/unit/clexmonte/events_CompleteEventCalculator_test.cpp
tests/unit/clexmonte/events_EventStateCalculator_test.cpp
tests/unit/clexmonte/events_RejectionFree_test.cpp
tests/unit/clexmonte/events_System_impact_table_test.cpp
tests/unit/clexmonte/run_FixedConfigGenerator_test.cpp
tests/unit/clexmonte/run_IncrementalConditionsStateGenerator_test.cpp
tests/unit/clexmonte/run_SamplingFixture_test.cpp
tests/unit/clexmonte/semigrand_canonical_fullrun_test.cpp
tests/unit/clexmonte/semigrand_canonical_run_test.cpp
tests/unit/clexmonte/system_System_json_io_test.cpp
tests/unit/clexmonte/data/Clex_ZrO_Occ/formation_energy_eci.json
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tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.A_Va_1NN/basis.json
tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.A_Va_1NN/bspecs.json
tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.A_Va_1NN/clust.json
tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.A_Va_1NN/equivalents_info.json
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tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/3/FCC_binary_vacancy_Clexulator_B_Va_1NN_3.cc
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tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.B_Va_1NN/5/FCC_binary_vacancy_Clexulator_B_Va_1NN_5.cc
tests/unit/clexmonte/data/FCC_binary_vacancy/basis_sets/bset.default/FCC_binary_vacancy_Clexulator_default.cc
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tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event_system.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/event.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/freq_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/freq_sparse_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/kra_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.A_Va_1NN/kra_sparse_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/event.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/freq_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/freq_sparse_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/kra_eci.json
tests/unit/clexmonte/data/FCC_binary_vacancy/kmc_events/event.B_Va_1NN/kra_sparse_eci.json
tests/unit/clexmonte/data/ZrOTestSystem/formation_energy_eci.json
tests/unit/clexmonte/data/ZrOTestSystem/system.json
tests/unit/clexmonte/data/ZrOTestSystem/basis_sets/bset.formation_energy/ZrO_Clexulator_formation_energy.cc
tests/unit/clexmonte/data/canonical/input_1.json
tests/unit/clexmonte/data/kmc/system_template.json