xnn.common.models.pme.pme_mesh# xnn.common.models.pme.pme_mesh(cell, alpha, accuracy)[source]# Mesh dimensions for a target accuracy: 2 alpha L_i / (3 eps^(1/5)), up to a power of two. Parameters: cell (Tensor) – Lattice vectors as rows (3, 3). alpha (float) – The Ewald splitting parameter in 1/Angstrom. accuracy (float) – Target relative accuracy eps. Returns: (K_1, K_2, K_3), each at least 2. Return type: list of int
