deeperwin.utils.get_el_ion_distance_matrix

deeperwin.utils.get_el_ion_distance_matrix(r_el, R_ion)[source]

Parameters

r_el – shape [N_batch x n_el x 3]
R_ion – shape [N_ion x 3]

Returns

shape [N_batch x n_el x N_ion x 3] dist: shape [N_batch x n_el x N_ion]

Return type

diff