spindry.SpdPotential

class spindry.SpdPotential(nonbond_epsilon=5)[source]

Bases: Potential

Default spindry non-bonded potential function.

Methods

compute_potential

Compute the potential energy of a supramolecule.
Parameters:

nonbond_epsilon (float)

compute_potential(supramolecule)[source]

Compute the potential energy of a supramolecule.

Parameters:

supramolecule (SupraMolecule)

Return type:

float