LambdaHarmonic -------------- The LambdaHarmonic potential is a variant of the Harmonic potential that includes a lambda parameter for smooth switching or alchemical transformations. This is particularly useful in free energy calculations or when gradually introducing or removing bonds. .. math:: U = \lambda^n \cdot \frac{1}{2}K(r-r_0)^2 where: * :math:`\lambda` is the switching parameter (0 ≤ λ ≤ 1) * :math:`n` is the power to which lambda is raised * :math:`K` is the spring constant * :math:`r` is the current distance between the bonded particles * :math:`r_0` is the equilibrium distance ---- * **type**: ``Bond2``, ``LambdaHarmonic`` * **parameters**: * ``n``: ``int``: Power of lambda (default: 2) * **data**: * ``id_i``: ``int``: Id of one particle * ``id_j``: ``int``: Id of the other particle * ``K`` : ``real``: Spring constant :math:`[energy]/[distance]^2` * ``r0`` : ``real``: Equilibrium distance :math:`[distance]` Example: .. code-block:: "lambdaHarmonicBonds":{ "type":["Bond2","LambdaHarmonic"], "parameters":{"n":2}, "labels":["id_i", "id_j", "K", "r0"], "data":[[0, 1, 100.0, 1.0], [1, 2, 100.0, 1.1], [2, 3, 100.0, 0.9]] } .. note:: The :math:`\lambda` parameter is typically controlled globally for the entire simulation and is not specified per bond.