coulomb_kmc.kmc_expansion_tools module

class coulomb_kmc.kmc_expansion_tools.LocalExpEval(L)

Bases: object

Generates C code to manipulate and evaluate Multipole and Local expansions. Also generates the C code for Multipole and Local expansion manipulation used in other libraries.

Parameters

L (int) – Number of expansion terms.

compute_phi_local(moments, disp_sph)

dot_vec(sph, charge, arr)

For a charge at the point sph computes the coefficients at the origin and appends them onto arr that can be used in a dot product to compute the energy.

dot_vec_multipole(sph, charge, arr_vec, arr_mul)

For a charge at the point sph computes the coefficients at the origin and appends them onto arr that can be used in a dot product to compute the energy.

local_exp(sph, charge, arr)

For a charge at the point sph computes the local expansion at the origin and appends it onto arr.

multipole_exp(sph, charge, arr)

For a charge at the point sph computes the multipole moments at the origin and appends them onto arr.

py_compute_phi_local(moments, disp_sph)

Computes the field at the podint disp_sph given by the local expansion in moments

py_multipole_exp(sph, charge, arr)

For a charge at the point sph computes the multipole moments at the origin and appends them onto arr.