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temperature_gpu

oxiphysics_gpu::gpu_md_solver

Function temperature_gpu 

Source 
pub fn temperature_gpu(buf: &GpuMdBuffer) -> f32
Expand description

Estimate instantaneous temperature from kinetic energy.

Uses the equipartition theorem: T = 2 * KE / (3 * N * kB). Boltzmann constant kB = 8.314e-3 kJ/(mol·K).