env_pytorch

This is summary documentation for hippynn.custom_kernels.env_pytorch module. Click here for full documentation.

Links to Full Documentation:

Pure pytorch implementation of envsum operations.

Note that these implementations are usually replaced by custom cuda kernels, as explained in the Custom Kernels section of the documentation.

Functions

envsum(sensitivities, features, pair_first, ...)	Computes outer product of sensitivities of pairs and atom features from pair_second, whilst accumulating them onto indices pair_first.
featsum(env, sense, pair_first, pair_second)	Compute inner product of sensitivities with environment tensor over atoms from pair_first, while accumulating them on to pair_second.
sensesum(env, features, pair_first, pair_second)	Computes product of environment at pair_first with features from pair_second, whilst summing over feature indices.