deepmd.pt.utils.preprocess

Attributes

log

Functions

compute_smooth_weight(→ torch.Tensor)	Compute smooth weight for descriptor elements.
compute_exp_sw(→ torch.Tensor)	Compute the exponential switch function for neighbor update.

Module Contents

deepmd.pt.utils.preprocess.log

deepmd.pt.utils.preprocess.compute_smooth_weight(distance: torch.Tensor, rmin: float, rmax: float) → torch.Tensor

Compute smooth weight for descriptor elements.

deepmd.pt.utils.preprocess.compute_exp_sw(distance: torch.Tensor, rmin: float, rmax: float) → torch.Tensor

Compute the exponential switch function for neighbor update.