env_sparse

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

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Pure pytorch implementation of envsum operations

Functions

envsum(sensitivities, features, pair_first, ...)
featsum(env, sense, pair_first, pair_second)
make_sparse_sense(sensitivities, pair_first, ...)	Construct sensitivities as a sparse matrix with shape (n_atoms * n_nu, n_atoms).
sensesum(env, features, pair_first, pair_second)	Sparse sensesum implementation uses a sparsity matrix of zeros with shape (n_atoms x n_atoms), combined with the crucial function torch.sparse sampled_addmm.