torch_sim.neighbors.utilsΒΆ
Utilities for neighbor list calculations.
Functions
Fill zero-length lattice vectors on non-periodic axes, like ASE's complete_cell. |
|
Normalize cell and PBC tensors to standard batch format. |
Utilities for neighbor list calculations.
Functions
Fill zero-length lattice vectors on non-periodic axes, like ASE's complete_cell. |
|
Normalize cell and PBC tensors to standard batch format. |