Namespace dcg_sci_tool.structures_analysis

Sub-modules

dcg_sci_tool.structures_analysis.are_structures_same

dcg_sci_tool.structures_analysis.color_atoms_in_trajectory_ase

dcg_sci_tool.structures_analysis.detect_CO_CO2_molecules

dcg_sci_tool.structures_analysis.detect_CO_coordinating_to_PdAu

dcg_sci_tool.structures_analysis.detect_O2_coordinating_to_PdAu

dcg_sci_tool.structures_analysis.detect_O2_molecules

dcg_sci_tool.structures_analysis.detect_single_adsorbed_O

dcg_sci_tool.structures_analysis.find_cluster_surface_hollow_sites

dcg_sci_tool.structures_analysis.find_elements_exclusively_frames

dcg_sci_tool.structures_analysis.get_pd3_hollow_sites

dcg_sci_tool.structures_analysis.get_pdau_cluster_center

dcg_sci_tool.structures_analysis.get_pdau_surface_atoms

dcg_sci_tool.structures_analysis.get_traj_focusing_O2_dissociation_site

dcg_sci_tool.structures_analysis.paint_atoms

dcg_sci_tool.structures_analysis.split_atoms_by_CO_midplane