Potentials (relentless.model.potential)#

Pair potentials#

Depletion(types[, name])

Depletion pair potential.

LennardJones(types[, name])

Lennard-Jones 12-6 pair potential.

PairSpline(types, num_knots[, mode, name])

Spline pair potential.

Yukawa(types[, name])

Yukawa pair potential.

Bond potentials#

BondSpline(types, num_knots[, mode, name])

Spline bond potentials.

FENEWCA(types[, name])

Finitely extensible nonlinear elastic (FENE) + Weeks-Chandler-Andersen (WCA) bond interaction.

HarmonicBond(types[, name])

Harmonic bond potential.

Angle potentials#

AngleSpline(types, num_knots[, mode, name])

Spline angle potentials.

CosineAngle(types[, name])

Cosine angle potential.

HarmonicAngle(types[, name])

Harmonic angle potential.

HarmonicCosineAngle(types[, name])

Harmonic cosine angle potential.

Dihedral potentials#

DihedralSpline(types, num_knots[, mode, name])

Spline dihedral potentials.

OPLSDihedral(types[, name])

OPLS dihedral potential.

RyckaertBellemansDihedral(types[, name])

Ryckaert-Bellemans dihedral potential.

Developer classes#

Potential(keys, params[, container, name])

Abstract base class for interaction potential.

Parameters(types, params)

Parameters for types.

BondedPotential(keys, params[, container, name])

Abstract base class for bonded interaction potential.

BondedSpline(types, num_knots[, mode, name])

Base class for bonded spline potentials.

AnglePotential(keys, params[, container, name])

Abstract base class for an angle potential.

AngleParameters(types, params)

Parameters for a angle potential.

BondPotential(keys, params[, container, name])

Abstract base class for a bond potential.

BondParameters(types, params)

Parameters for a bond potential.

DihedralPotential(keys, params[, container, ...])

Abstract base class for an dihedral potential.

DihedralParameters(types, params)

Parameters for a dihedral potential.

PairPotential(types, params[, name])

Abstract base class for a pair potential.

PairParameters(types, params)

Parameters for pairs of types.