deepmd.pt.utils.preprocess

deepmd.pt.utils.preprocess#

Attributes#

log

Functions#

compute_smooth_weight(distance, rmin, rmax)

Compute smooth weight for descriptor elements.

compute_exp_sw(distance, rmin, rmax)

Compute the exponential switch function for neighbor update.

Module Contents#

deepmd.pt.utils.preprocess.log[source]#
deepmd.pt.utils.preprocess.compute_smooth_weight(distance, rmin: float, rmax: float)[source]#

Compute smooth weight for descriptor elements.

deepmd.pt.utils.preprocess.compute_exp_sw(distance, rmin: float, rmax: float)[source]#

Compute the exponential switch function for neighbor update.

Contents