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How to enumerate into less number of atoms system

Open WalterWhite1611 opened this issue 7 months ago • 0 comments

I started my enumeration with this [ prim.json ](url) , with 9 types of atoms [C, Cl, F, H, Li, N, O, P, S,], except F,N I created vacancy on all other atoms sites. Now this prim.json file contains more than 600 atoms, I want to make less number of atoms (specially want to decrease number of Li and S)system by enumerating. Previously I enumerated with settings.json, and abled to reduce in 300 atoms, I want to truncate more atoms (mainly Li and S).

WalterWhite1611 avatar Jul 16 '24 12:07 WalterWhite1611