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extract_topology: Specify nets that are Non-crystallgraphic #34

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KunhuanLiu opened this issue Jun 3, 2024 · 0 comments
Open

extract_topology: Specify nets that are Non-crystallgraphic #34

KunhuanLiu opened this issue Jun 3, 2024 · 0 comments
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enhancement New feature or request

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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 KunhuanLiu added the enhancement New feature or request label Jun 3, 2024
@KunhuanLiu KunhuanLiu self-assigned this Jun 3, 2024
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