xnn.common.models.d3.legacy_c6_table

xnn.common.models.d3.legacy_c6_table(references='2010', max_z=95)

C6 reference systems in the layout of the PhysNet TensorFlow code.

(Zi, Zj, ref_i, ref_j) -> (C6, CN_i, CN_j) with -1 in all three channels of an unused reference slot and zeros in the Z = 0 padding row and column; the slot count R is the largest number of references of any element up to max_z - 1 (5 for "2010", 7 for "2024"). With the default arguments this is Grimme’s original table, bit for bit.

Parameters:

• references (str)

• max_z (int)

Return type:

Tensor