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compute_forces_batch

oxiphysics_gpu::neural_compute::functions

Function compute_forces_batch 

Source 
pub fn compute_forces_batch(
    positions: &[[f64; 3]],
    network: &NeuralNetwork,
) -> Vec<[f64; 3]>
Expand description

Run the network on every position and return a force vector per atom.

The network is expected to take a 3-component position and output a 3-component force vector. This is a CPU mock of a GPU batch dispatch.