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`extract_topology`: Specify nets that are Non-crystallgraphic

Open KunhuanLiu opened this issue 8 months ago • 0 comments

Nets such as nts are non-crystallographic and will lead to an error message in the current version of Systre:

#!!! ERROR (STRUCTURE) - - Structure has collisions between next-nearest neighbors. Systre does not currently support such structures..

The message can be improved to suggest more details behind the error considering the MOF topology. NU-100_SN_simplified_topology_with_two_conn_Zr_N NU-110: SingleNode gives nts topology (confirmed using Simplified Topology with Two Conn.cif)

KunhuanLiu avatar Jun 03 '24 21:06 KunhuanLiu