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lj_force_gpu

Function lj_force_gpu 

Source
pub fn lj_force_gpu(r: f32, params: &GpuMdParams) -> f32
Expand description

Lennard-Jones 12-6 force magnitude dU/dr (negative of force along r̂).

Returns dU/dr = 4ε [ -12σ¹²/r¹³ + 6σ⁶/r⁷ ]. Returns zero for r >= cutoff or r < 1e-10.