xnn.common.models.dispersion_fast.coulomb.coulomb_matvec

xnn.common.models.dispersion_fast.coulomb.coulomb_matvec(pos, rad, v)

sum_{j != i} erf(gamma_ij r_ij) / r_ij v_j for v of shape (N, K).

gamma_ij = (a_i^2 + a_j^2)^(-1/2); pos (N, 3) and rad (N,) in bohr. No autograd (the operator of the solver loop).

Parameters:

• pos (Tensor)

• rad (Tensor)

• v (Tensor)

Return type:

Tensor