mdpy.constraint.ElectrostaticPMEConstraint#

class mdpy.constraint.ElectrostaticPMEConstraint(cutoff_radius=<Quantity object: [8.e-10] m>, direct_sum_energy_tolerance=1e-05)[source]#
__init__(cutoff_radius=<Quantity object: [8.e-10] m>, direct_sum_energy_tolerance=1e-05) → None[source]#

Methods

__init__([cutoff_radius, ...])

bind_ensemble(ensemble)

set_cutoff_radius(val)

sort_attributes()

update()

Attributes

constraint_id

cutoff_radius

ewald_coefficient

forces

grid_size

parent_ensemble

potential_energy