ectoolkits.analysis.finite_size_correction module

ectoolkits.analysis.finite_size_correction module#

class ectoolkits.analysis.finite_size_correction.DielProfile(z_interface_list, diel_list: List[float], beta_list, paramcell)[source]#

Bases: object

gen_diel_profile(diel_list)[source]#

static ifmodel(z, diel1, diel2, beta)[source]#

static perdz(z1, z2, len_z)[source]#

class ectoolkits.analysis.finite_size_correction.GaussCharge(Q, pos, width, paramcell, recip=False, mode='r')[source]#: Bases: object

class ectoolkits.analysis.finite_size_correction.PBCPoissonSolver(gauss_charge: GaussCharge, diel_profile: DielProfile, paramcell: Paramcell)[source]#: Bases: object

class ectoolkits.analysis.finite_size_correction.Paramcell(length, divi, h)[source]#: Bases: object

class ectoolkits.analysis.finite_size_correction.UniformCharge(Q, interface_position, beta, paramcell)[source]#

Bases: object

static counter_charge_model(z, charge_1, charge_2, width)[source]#

static delta_z(z1, z2, periodic_cell_height)[source]#

ectoolkits.analysis.finite_size_correction.integer3D(f, paramcell)[source]#