.gitignore
.gitlab-ci.yml
LICENSE
MANIFEST.in
README.md
requirements.txt
setup.py
table_of_adsorption_sites.pdf
acat/.gitkeep
acat/__init__.py
acat/adsorbate_coverage.py
acat/adsorption_sites.py
acat/labels.py
acat/settings.py
acat/utilities.py
acat.egg-info/PKG-INFO
acat.egg-info/SOURCES.txt
acat.egg-info/dependency_links.txt
acat.egg-info/requires.txt
acat.egg-info/top_level.txt
acat/build/__init__.py
acat/build/action.py
acat/build/adlayer.py
acat/build/ordering.py
acat/ga/.gitkeep
acat/ga/__init__.py
acat/ga/adsorbate_comparators.py
acat/ga/adsorbate_operators.py
acat/ga/graph_comparators.py
acat/ga/group_comparators.py
acat/ga/group_operators.py
acat/ga/multitasking.py
acat/ga/particle_crossovers.py
acat/ga/particle_mutations.py
acat/ga/slab_operators.py
acat/kernels/wl_kernel.py
docs/.gitkeep
docs/Makefile
docs/acat_favicon.ico
docs/build.rst
docs/conf.py
docs/ga.rst
docs/index.rst
docs/installation.rst
docs/make.bat
docs/modules.rst
docs/notes.rst
docs/utilities.rst
docs/latex/LICRcyr2utf8.xdy
docs/latex/LICRlatin2utf8.xdy
docs/latex/LatinRules.xdy
docs/latex/Makefile
docs/latex/RandomOrderingGenerator.gif
docs/latex/StochasticPatternGenerator.gif
docs/latex/SymmetricOrderingGenerator.gif
docs/latex/SystematicPatternGenerator.gif
docs/latex/acat.tex
docs/latex/add_adsorbate.png
docs/latex/add_adsorbate_to_label.png
docs/latex/add_adsorbate_to_site_1.png
docs/latex/add_adsorbate_to_site_2.png
docs/latex/all_coverage_patterns.png
docs/latex/color_facets.png
docs/latex/footnotehyper-sphinx.sty
docs/latex/full_coverage_pattern_1.png
docs/latex/full_coverage_pattern_2.png
docs/latex/latexmkjarc
docs/latex/latexmkrc
docs/latex/make.bat
docs/latex/python.ist
docs/latex/random_coverage_pattern_1.png
docs/latex/random_coverage_pattern_2.png
docs/latex/remove_adsorbate_from_site.png
docs/latex/remove_adsorbates_from_sites.png
docs/latex/remove_adsorbates_too_close.png
docs/latex/sphinx.sty
docs/latex/sphinx.xdy
docs/latex/sphinxcyrillic.sty
docs/latex/sphinxhighlight.sty
docs/latex/sphinxhowto.cls
docs/latex/sphinxmanual.cls
docs/latex/sphinxmessages.sty
docs/latex/sphinxmulticell.sty
docs/latex/symmetric_coverage_pattern_1.png
docs/latex/symmetric_coverage_pattern_2.png
docs/latex/unique_sites.png
docs/latex/.doctrees/build.doctree
docs/latex/.doctrees/environment.pickle
docs/latex/.doctrees/ga.doctree
docs/latex/.doctrees/index.doctree
docs/latex/.doctrees/installation.doctree
docs/latex/.doctrees/modules.doctree
docs/latex/.doctrees/notes.doctree
docs/latex/.doctrees/utilities.doctree
examples/.gitkeep
examples/add_adsorbate_to_surface.py
examples/generate_ordered_adlayers.py
examples/generate_random_adlayers.py
examples/generate_random_alloys.py
examples/generate_symmetric_nanoalloys.py
examples/get_adsorbate_coverage.py
examples/get_adsorption_sites.py
images/.gitkeep
images/OrderedPatternGenerator1.gif
images/OrderedPatternGenerator2.gif
images/RandomOrderingGenerator1.gif
images/RandomOrderingGenerator2.gif
images/RandomPatternGenerator1.gif
images/RandomPatternGenerator2.gif
images/RandomPatternGenerator3.gif
images/SymmetricClusterOrderingGenerator1.gif
images/SymmetricClusterOrderingGenerator2.gif
images/SymmetricClusterOrderingGenerator3.gif
images/SymmetricClusterOrderingGenerator4.gif
images/SymmetricSlabOrderingGenerator1.gif
images/SymmetricSlabOrderingGenerator2.gif
images/SymmetricSlabOrderingGenerator3.gif
images/SymmetricSlabOrderingGenerator4.gif
images/SystematicPatternGenerator1.gif
images/SystematicPatternGenerator2.gif
images/acat_logo.png
images/add_adsorbate.png
images/add_adsorbate_to_label.png
images/add_adsorbate_to_site_1.png
images/add_adsorbate_to_site_2.png
images/all_ordered_coverage_patterns.png
images/bike_logo.png
images/color_facets.png
images/eu_logo.png
images/fcc111_0.75ml.png
images/full_sites_enumeration.png
images/labeled_sites.png
images/max_dist_coverage_pattern_1.png
images/max_dist_coverage_pattern_2.png
images/min_dist_coverage_pattern_1.png
images/min_dist_coverage_pattern_2.png
images/min_dist_coverage_pattern_3.png
images/random_NiPt_111_surface_with_OH.png
images/random_cuboctahedron_NiPt_309_with_random_O_coverage.png
images/random_icosahedron_NiPt_309_with_OH.png
images/remove_adsorbate_from_site.png
images/remove_adsorbates_from_sites.png
images/remove_adsorbates_too_close.png
images/special_coverage_pattern_1.png
images/special_coverage_pattern_2.png
images/tagged_sites.png
images/unique_sites.png
tests/cluster_test.py
tests/slab_test.py
tests/water_bulk.xyz