ppmd.coulomb.fmm_pbc module

class ppmd.coulomb.fmm_pbc.DipoleCorrector(l, extent, lr_func, exclude_tuples=None)

Bases: object

class ppmd.coulomb.fmm_pbc.FMMPbc(L, eps, domain, dtype, exclude_tuples=None)

Bases: object

“Precise and Efficient Ewald Summation for Periodic Fast Multipole Method”, Takashi Amisaki, Journal of Computational Chemistry, Vol21, No 12, 1075-1087, 2000

compute_f()

compute_g()

im_lm(l, m)

re_lm(l, m)

class ppmd.coulomb.fmm_pbc.LongRangeMTL(L, domain, exclude_tuples=None)

Bases: object

apply_lr_mtl(M, L)

class ppmd.coulomb.fmm_pbc.SphShellSum(lmax)

Bases: object

ppmd.coulomb.fmm_pbc.green(input)

ppmd.coulomb.fmm_pbc.red(input)

ppmd.coulomb.fmm_pbc.spherical(xyz)

Converts the cartesian coordinates in xyz to spherical coordinates (radius, polar angle, longitude angle)

ppmd.coulomb.fmm_pbc.yellow(input)