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General Questions and Answers / Settings LJ for Tags
« on: January 9, 2024, 02:54 »
Dear Admin,
I have an LJ potential curve for an interface with two materials (Tagged as 'L' and 'R'). I want to implement it in QuantumATK but it requires atom by atom interaction.
Is there a way to implement LJ potential for tags?
I have an LJ potential curve for an interface with two materials (Tagged as 'L' and 'R'). I want to implement it in QuantumATK but it requires atom by atom interaction.
Is there a way to implement LJ potential for tags?