ACAT
Installation
Base modules
Building things
Genetic algorithm
Other utilities
Notes
ACAT
»
Index
Index
A
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B
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C
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D
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E
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F
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G
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I
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L
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M
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N
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O
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P
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R
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S
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U
A
acat.adsorbate_coverage
module
acat.adsorption_sites
module
acat.build.action
module
acat.build.ordering
module
acat.build.overlayer
module
acat.ga.adsorbate_comparators
module
acat.ga.adsorbate_operators
module
acat.ga.group_comparators
module
acat.ga.group_operators
module
acat.utilities
module
add_adsorbate() (acat.ga.adsorbate_operators.AdsorbateOperator method)
(in module acat.build.action)
add_adsorbate_to_label() (in module acat.build.action)
add_adsorbate_to_site() (in module acat.build.action)
AddAdsorbate (class in acat.ga.adsorbate_operators)
AdsorbateCountComparator (class in acat.ga.adsorbate_comparators)
AdsorbateOperator (class in acat.ga.adsorbate_operators)
AdsorptionMetalsComparator (class in acat.ga.adsorbate_comparators)
AdsorptionSitesComparator (class in acat.ga.adsorbate_comparators)
atoms_too_close() (in module acat.utilities)
atoms_too_close_after_addition() (in module acat.utilities)
B
bipartitions() (in module acat.utilities)
C
ClusterAdsorbateCoverage (class in acat.adsorbate_coverage)
,
[1]
ClusterAdsorptionSites (class in acat.adsorption_sites)
,
[1]
count_ads() (in module acat.ga.adsorbate_comparators)
Crossover (class in acat.ga.group_operators)
CutSpliceCrossoverWithAdsorbates (class in acat.ga.adsorbate_operators)
D
draw_graph() (in module acat.utilities)
E
enumerate_adsorption_sites() (in module acat.adsorption_sites)
,
[1]
enumerate_occupied_sites() (in module acat.adsorbate_coverage)
,
[1]
F
full_coverage_pattern() (in module acat.build.overlayer)
G
get_ads_connectivity() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_adsorbate_indices() (acat.ga.adsorbate_operators.AdsorbateOperator method)
get_adsorbates() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_adsorption_site() (in module acat.adsorption_sites)
,
[1]
get_angle_between() (in module acat.utilities)
get_close_atoms() (in module acat.utilities)
get_connectivity() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_connectivity_matrix() (in module acat.utilities)
get_coverage() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_fullCNA() (acat.adsorption_sites.ClusterAdsorptionSites method)
get_graph() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
(acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_groups() (acat.build.ordering.OrderedSlabOrderingGenerator method)
,
[1]
(acat.build.ordering.SymmetricClusterOrderingGenerator method)
get_hetero_connectivity() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_max_delta_sum_path() (in module acat.utilities)
get_mic() (in module acat.utilities)
get_neighbor_site_list() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_new_individual() (acat.ga.adsorbate_operators.AddAdsorbate method)
(acat.ga.adsorbate_operators.AdsorbateOperator method)
(acat.ga.adsorbate_operators.CutSpliceCrossoverWithAdsorbates method)
(acat.ga.adsorbate_operators.MoveAdsorbate method)
(acat.ga.adsorbate_operators.RemoveAdsorbate method)
(acat.ga.adsorbate_operators.ReplaceAdsorbate method)
(acat.ga.group_operators.GroupCrossover method)
(acat.ga.group_operators.GroupPermutation method)
(acat.ga.group_operators.GroupSubstitute method)
get_occupied_labels() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_rejection_between() (in module acat.utilities)
get_rodrigues_rotation_matrix() (in module acat.utilities)
get_rotation_matrix() (in module acat.utilities)
get_site() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
(acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_site_connectivity() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_sites() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
(acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_sorted_indices() (acat.build.ordering.SymmetricClusterOrderingGenerator method)
get_subsurf_coverage() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
get_subsurface() (acat.adsorption_sites.ClusterAdsorptionSites method)
get_surface_normal() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_surface_sites() (acat.adsorption_sites.ClusterAdsorptionSites method)
get_termination() (acat.adsorption_sites.SlabAdsorptionSites method)
get_total_masses() (in module acat.utilities)
get_unique_sites() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
get_vectors_below_min_dist() (acat.ga.adsorbate_operators.CutSpliceCrossoverWithAdsorbates method)
group_sites_by_facet() (in module acat.adsorption_sites)
,
[1]
GroupCompositionComparator (class in acat.ga.group_comparators)
GroupCrossover (class in acat.ga.group_operators)
GroupPermutation (class in acat.ga.group_operators)
GroupSizeComparator (class in acat.ga.group_comparators)
GroupSubstitute (class in acat.ga.group_operators)
I
initialize_individual() (acat.ga.adsorbate_operators.AdsorbateOperator class method)
Installation
L
looks_like() (acat.ga.adsorbate_comparators.AdsorbateCountComparator method)
(acat.ga.adsorbate_comparators.AdsorptionMetalsComparator method)
(acat.ga.adsorbate_comparators.AdsorptionSitesComparator method)
(acat.ga.group_comparators.GroupCompositionComparator method)
(acat.ga.group_comparators.GroupSizeComparator method)
M
mapping() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
module
acat.adsorbate_coverage
acat.adsorption_sites
acat.build.action
acat.build.ordering
acat.build.overlayer
acat.ga.adsorbate_comparators
acat.ga.adsorbate_operators
acat.ga.group_comparators
acat.ga.group_operators
acat.utilities
MoveAdsorbate (class in acat.ga.adsorbate_operators)
mutate() (acat.ga.group_operators.GroupPermutation class method)
Mutation (class in acat.ga.group_operators)
N
neighbor_shell_list() (in module acat.utilities)
no_atom_too_close_to_pos() (acat.adsorption_sites.ClusterAdsorptionSites method)
numbers_from_ratio() (in module acat.utilities)
O
ordered_coverage_pattern() (in module acat.build.overlayer)
OrderedSlabOrderingGenerator (class in acat.build.ordering)
,
[1]
P
partitions_into_totals() (in module acat.utilities)
populate_occupied_sites() (acat.adsorbate_coverage.ClusterAdsorbateCoverage method)
(acat.adsorbate_coverage.SlabAdsorbateCoverage method)
populate_opposite_site_list() (acat.adsorption_sites.SlabAdsorptionSites method)
populate_site_list() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)
R
randint_with_sum() (acat.build.ordering.RandomOrderingGenerator method)
random_coverage_pattern() (in module acat.build.overlayer)
random_split_indices() (acat.build.ordering.RandomOrderingGenerator method)
RandomOrderingGenerator (class in acat.build.ordering)
remove_adsorbate() (acat.ga.adsorbate_operators.AdsorbateOperator method)
remove_adsorbate_from_site() (in module acat.build.action)
remove_adsorbates_from_sites() (in module acat.build.action)
remove_adsorbates_too_close() (in module acat.build.action)
RemoveAdsorbate (class in acat.ga.adsorbate_operators)
ReplaceAdsorbate (class in acat.ga.adsorbate_operators)
run() (acat.build.ordering.OrderedSlabOrderingGenerator method)
,
[1]
(acat.build.ordering.RandomOrderingGenerator method)
(acat.build.ordering.SymmetricClusterOrderingGenerator method)
(acat.build.overlayer.StochasticPatternGenerator method)
(acat.build.overlayer.SystematicPatternGenerator method)
S
SlabAdsorbateCoverage (class in acat.adsorbate_coverage)
,
[1]
SlabAdsorptionSites (class in acat.adsorption_sites)
,
[1]
StochasticPatternGenerator (class in acat.build.overlayer)
string_fragmentation() (in module acat.utilities)
substitute() (acat.ga.group_operators.GroupSubstitute method)
SymmetricClusterOrderingGenerator (class in acat.build.ordering)
SystematicPatternGenerator (class in acat.build.overlayer)
U
update() (acat.adsorption_sites.ClusterAdsorptionSites method)
(acat.adsorption_sites.SlabAdsorptionSites method)