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feat: clustering analysis routine through clustering module #2063

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@aboswel aboswel commented Feb 24, 2025

Aims to add clustering analysis to dissolve through a new module. Clusters are defined (currently) by two sites and a distance cut-off. Angle constraints will be added for hydrogen bonding. Various metrics are calculated from these clusters. Plans to add 3D GUI visualisation and graph network analysis.

…ilter is working for bonds between the same site. Next step to implement multiple intermolecular bonds simulataneously
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