├── LICENSE.txt ├── README.md ├── RELEASE_NOTES.md ├── c++ ├── CMakeLists.txt ├── INSTALL.md ├── custom │ ├── CMakeLists.txt │ ├── bucketstestcalculator.cpp │ ├── bucketstestcalculator.h │ ├── isingtestcalculator.cpp │ └── isingtestcalculator.h ├── externals │ ├── Makefile │ ├── README.md │ ├── include │ │ └── externals │ │ │ └── README │ ├── lib │ │ └── README │ ├── obj │ │ └── README │ ├── src │ │ └── README │ └── zip │ │ ├── README │ │ ├── cppunit-1.12.1.tar.gz │ │ └── md5.tar.gz ├── src │ ├── CMakeLists.txt │ ├── blocker.cpp │ ├── blocker.h │ ├── configuration.cpp │ ├── configuration.h │ ├── coordinate.cpp │ ├── coordinate.h │ ├── customrateprocess.cpp │ ├── customrateprocess.h │ ├── hash.cpp │ ├── hash.h │ ├── interactions.cpp │ ├── interactions.h │ ├── latticemap.cpp │ ├── latticemap.h │ ├── latticemodel.cpp │ ├── latticemodel.h │ ├── matcher.cpp │ ├── matcher.h │ ├── matchlist.cpp │ ├── matchlist.h │ ├── matchlistentry.cpp │ ├── matchlistentry.h │ ├── mpicommons.cpp │ ├── mpicommons.h │ ├── mpih.h │ ├── mpiroutines.cpp │ ├── mpiroutines.h │ ├── ontheflymsd.cpp │ ├── ontheflymsd.h │ ├── process.cpp │ ├── process.h │ ├── random.cpp │ ├── random.h │ ├── ratecalculator.cpp │ ├── ratecalculator.h │ ├── ratetable.cpp │ ├── ratetable.h │ ├── simulationtimer.cpp │ ├── simulationtimer.h │ ├── typebucket.cpp │ └── typebucket.h ├── unittest │ ├── CMakeLists.txt │ ├── testRunner.cpp │ ├── testRunner.h │ ├── test_blocker.cpp │ ├── test_blocker.h │ ├── test_configuration.cpp │ ├── test_configuration.h │ ├── test_coordinate.cpp │ ├── test_coordinate.h │ ├── test_customrateprocess.cpp │ ├── test_customrateprocess.h │ ├── test_hash.cpp │ ├── test_hash.h │ ├── test_interactions.cpp │ ├── test_interactions.h │ ├── test_latticemap.cpp │ ├── test_latticemap.h │ ├── test_latticemodel.cpp │ ├── test_latticemodel.h │ ├── test_matcher.cpp │ ├── test_matcher.h │ ├── test_matchlist.cpp │ ├── test_matchlist.h │ ├── test_matchlistentry.cpp │ ├── test_matchlistentry.h │ ├── test_mpicommons.cpp │ ├── test_mpicommons.h │ ├── test_mpiroutines.cpp │ ├── test_mpiroutines.h │ ├── test_ontheflymsd.cpp │ ├── test_ontheflymsd.h │ ├── test_process.cpp │ ├── test_process.h │ ├── test_random.cpp │ ├── test_random.h │ ├── test_ratecalculator.cpp │ ├── test_ratecalculator.h │ ├── test_ratetable.cpp │ ├── test_ratetable.h │ ├── test_simulationtimer.cpp │ ├── test_simulationtimer.h │ ├── test_typebucket.cpp │ └── test_typebucket.h └── wrap │ ├── CMakeLists.txt │ └── backend.i ├── manual ├── _images │ ├── MSD_3D.png │ ├── ising.png │ ├── math │ │ ├── 25cd3156db54316e41f64148e43616b33301df0e.png │ │ ├── 5ce868f3b76218cf762cff5430141c8a31ba3128.png │ │ └── b255ecfecac2fe4200fabb2d0338b8aeaeaf97ac.png │ └── msd_1D.png ├── _sources │ ├── about.txt │ ├── algorithm.txt │ ├── analysis.txt │ ├── api.txt │ ├── index.txt │ ├── install.txt │ ├── intro.txt │ ├── non_api.txt │ ├── plugins.txt │ ├── references.txt │ └── usage.txt ├── _static │ ├── ajax-loader.gif │ ├── alert_info_32.png │ ├── alert_warning_32.png │ ├── basic.css │ ├── bg-page.png │ ├── bullet_orange.png │ ├── comment-bright.png │ ├── comment-close.png │ ├── comment.png │ ├── doctools.js │ ├── down-pressed.png │ ├── down.png │ ├── file.png │ ├── haiku.css │ ├── jquery.js │ ├── logo.png │ ├── logo_small.png │ ├── minus.png │ ├── plus.png │ ├── pygments.css │ ├── searchtools.js │ ├── underscore.js │ ├── up-pressed.png │ ├── up.png │ └── websupport.js ├── about.html ├── algorithm.html ├── analysis.html ├── api.html ├── genindex.html ├── index.html ├── install.html ├── intro.html ├── non_api.html ├── objects.inv ├── plugins.html ├── references.html ├── search.html ├── searchindex.js └── usage.html └── python ├── Makefile ├── doc ├── Makefile └── source │ ├── MSD_3D.png │ ├── _static │ ├── logo.png │ └── logo_small.png │ ├── _templates │ └── layout.html │ ├── about.rst │ ├── algorithm.rst │ ├── analysis.rst │ ├── api.rst │ ├── conf.py │ ├── index.rst │ ├── install.rst │ ├── intro.rst │ ├── ising.png │ ├── kBT_1.png │ ├── msd_1D.png │ ├── non_api.rst │ ├── plugins.rst │ ├── references.rst │ └── usage.rst ├── functest ├── Buckets │ └── BucketsTest.py ├── Diffusion1D │ └── Diffusion1DTest.py ├── Diffusion3D │ ├── Diffusion3DTest.py │ ├── config.py │ └── processes.py ├── IsingSpin │ ├── IsingSpinTest.py │ ├── config.py │ ├── custom_processes.py │ ├── custom_rates.png │ ├── fixed_processes.py │ └── fixed_rates.png ├── OnTheFlyRateCalculator │ └── OnTheFlyRateCalculatorTest.py └── TimeStepDistribution │ └── TimeStepDistributionTest.py ├── src └── KMCLib │ ├── Analysis │ ├── Composition.py │ ├── OnTheFlyMSD.py │ ├── ProcessStatistics.py │ ├── TimeStepDistribution.py │ └── __init__.py │ ├── Backend │ └── __init__.py │ ├── CoreComponents │ ├── KMCBaseProcess.py │ ├── KMCBucketProcess.py │ ├── KMCConfiguration.py │ ├── KMCControlParameters.py │ ├── KMCInteractions.py │ ├── KMCLattice.py │ ├── KMCLatticeModel.py │ ├── KMCLocalConfiguration.py │ ├── KMCProcess.py │ ├── KMCUnitCell.py │ └── __init__.py │ ├── Exceptions │ ├── Error.py │ └── __init__.py │ ├── PluginInterfaces │ ├── KMCAnalysisPlugin.py │ ├── KMCBreakerPlugin.py │ ├── KMCRateCalculatorPlugin.py │ └── __init__.py │ ├── Utilities │ ├── CheckUtilities.py │ ├── ConversionUtilities.py │ ├── CoordinateUtilities.py │ ├── PrintUtilities.py │ ├── SaveAndReadUtilities.py │ ├── Trajectory │ │ ├── LatticeTrajectory.py │ │ ├── Trajectory.py │ │ ├── XYZTrajectory.py │ │ └── __init__.py │ └── __init__.py │ └── __init__.py └── unittest ├── KMCLibTest ├── Analysis │ ├── AnalysisTests.py │ ├── CompositionTest.py │ ├── OnTheFlyMSDTest.py │ ├── ProcessStatisticsTest.py │ ├── TimeStepDistributionTest.py │ └── __init__.py ├── Backend │ ├── BackendTests.py │ ├── WrappingTest.py │ └── __init__.py ├── CoreComponents │ ├── CoreComponentsTests.py │ ├── KMCConfigurationTest.py │ ├── KMCControlParametersTest.py │ ├── KMCInteractionsTest.py │ ├── KMCLatticeModelTest.py │ ├── KMCLatticeTest.py │ ├── KMCLocalConfigurationTest.py │ ├── KMCProcessTest.py │ ├── KMCUnitCellTest.py │ └── __init__.py ├── Exceptions │ ├── ErrorTest.py │ ├── ExceptionsTests.py │ └── __init__.py ├── KMCLibTests.py ├── PluginInterfaces │ ├── KMCAnalysisPluginTest.py │ ├── KMCBreakerPluginTest.py │ ├── KMCRateCalculatorPluginTest.py │ ├── PluginInterfacesTests.py │ └── __init__.py ├── TestUtilities │ ├── Plugins │ │ ├── CustomRateCalculator │ │ │ ├── CustomRateCalculator.py │ │ │ └── __init__.py │ │ └── __init__.py │ ├── Scratch │ │ └── README │ ├── Scripts │ │ ├── kmc_configuration_script.py │ │ └── kmc_lattice_model_script.py │ └── __init__.py ├── Utilities │ ├── CheckUtilitiesTest.py │ ├── ConversionUtilitiesTest.py │ ├── CoordinateUtilitiesTest.py │ ├── PrintUtilitiesTest.py │ ├── SaveAndReadUtilitiesTest.py │ ├── Trajectory │ │ ├── LatticeTrajectoryTest.py │ │ ├── TrajectoryTest.py │ │ ├── TrajectoryTests.py │ │ ├── XYZTrajectoryTest.py │ │ └── __init__.py │ ├── UtilitiesTests.py │ └── __init__.py └── 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