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Add coordination number and lone-pair regularization dimension tracking#2911

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rwest merged 1 commit intomainfrom
reg_dim_p_ncoord
Mar 31, 2026
Merged

Add coordination number and lone-pair regularization dimension tracking#2911
rwest merged 1 commit intomainfrom
reg_dim_p_ncoord

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@mjohnson541
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This enables groups to track regularization dimensions for coordination numbers and number of lone pair electrons.

@rwest rwest force-pushed the reg_dim_p_ncoord branch from 531f867 to 9e40713 Compare March 31, 2026 22:39
@rwest rwest enabled auto-merge (rebase) March 31, 2026 22:39
@rwest rwest merged commit a35dd78 into main Mar 31, 2026
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@rwest rwest deleted the reg_dim_p_ncoord branch March 31, 2026 23:48
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2 participants