GitHub - ngastellu/disorder_analysis_MAC: Series of scripts for quantifying the type and degree of disorder in amorphous monolayer carbon

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Series of scripts for quantifying the type and degree of disorder in amorphous monolayer carbon

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Name		Name	Last commit message	Last commit date
Latest commit History 40 Commits
40x40_MAC_ring_stats		40x40_MAC_ring_stats
structures		structures
.gitignore		.gitignore
CITATION.cff		CITATION.cff
Density_sites.py		Density_sites.py
avg_ring_stats_volker.npy		avg_ring_stats_volker.npy
avg_rings_stats_AMC400_volker_subsamp.npy		avg_rings_stats_AMC400_volker_subsamp.npy
compare_graphene_pair_func.py		compare_graphene_pair_func.py
compare_indiv_pcfs.py		compare_indiv_pcfs.py
compute_eta_MRO.py		compute_eta_MRO.py
compute_rho_sites.py		compute_rho_sites.py
filter_MRO.py		filter_MRO.py
find_biggest_cluster_structure.py		find_biggest_cluster_structure.py
frac_cryst_atoms.py		frac_cryst_atoms.py
fraction_cryst_atoms.py		fraction_cryst_atoms.py
gather_ring_counts.py		gather_ring_counts.py
get_MRO_param.py		get_MRO_param.py
get_cluster_sizes.py		get_cluster_sizes.py
get_cryst_mask.py		get_cryst_mask.py
get_crystallite_sizes_mpi.py		get_crystallite_sizes_mpi.py
get_labelled_rings.py		get_labelled_rings.py
get_nvt_avg_pair_func.py		get_nvt_avg_pair_func.py
get_pair_func_graphene.py		get_pair_func_graphene.py
get_rho_sites.py		get_rho_sites.py
hist_cryst_atoms.py		hist_cryst_atoms.py
local_pcf_random_amc400.py		local_pcf_random_amc400.py
new_AMC400_selected_indices.npy		new_AMC400_selected_indices.npy
new_AMC400_training_data_volker.npy		new_AMC400_training_data_volker.npy
order_params_volker_subsamp.py		order_params_volker_subsamp.py
pick_data_amc400.py		pick_data_amc400.py
plot_amc400_pairfuncs.py		plot_amc400_pairfuncs.py
plot_biggest_crystallite.py		plot_biggest_crystallite.py
plot_cryst_CC_dists.py		plot_cryst_CC_dists.py
plot_cryst_cluster_sizes.py		plot_cryst_cluster_sizes.py
plot_crystallites.py		plot_crystallites.py
plot_ensemble_pair_funcs.py		plot_ensemble_pair_funcs.py
plot_exptl_structures.py		plot_exptl_structures.py
plot_rho_sites_distrib.py		plot_rho_sites_distrib.py
plot_undistorted_clusters.py		plot_undistorted_clusters.py
rebuild_ring_stats_narval.py		rebuild_ring_stats_narval.py
rebuild_rings_from_subsamp.py		rebuild_rings_from_subsamp.py
relabel_structures.py		relabel_structures.py
ring_analysis_MPI.py		ring_analysis_MPI.py
ring_stats_training_data.py		ring_stats_training_data.py
scatter_order_params.py		scatter_order_params.py
scatter_order_params_volker.py		scatter_order_params_volker.py
test_mask.py		test_mask.py
undistorted_carbons.py		undistorted_carbons.py
volker_full_dataset_ring_stats.npy		volker_full_dataset_ring_stats.npy
volker_ring_data_full_set.pkl		volker_ring_data_full_set.pkl