Gaussian -------- The Gaussian potential creates a soft, bell-shaped interaction between particles. It's useful for modeling polymer bonds or other soft interactions where a harmonic potential might be too stiff. .. math:: U = -E \exp\left(-\frac{(r-r_0)^2}{2D}\right) where: * :math:`E` is the well depth * :math:`r_0` is the equilibrium distance * :math:`D` is related to the width of the Gaussian ---- * **type**: ``Bond2``, ``Gaussian`` * **parameters**: ``None`` * **data**: * ``id_i``: ``int``: Id of one particle * ``id_j``: ``int``: Id of the other particle * ``E`` : ``real``: Well depth :math:`[energy]` * ``r0`` : ``real``: Equilibrium distance :math:`[distance]` * ``D`` : ``real``: Width parameter :math:`[distance]^2` Example: .. code-block:: "gaussianBonds":{ "type":["Bond2","Gaussian"], "parameters":{}, "labels":["id_i", "id_j", "E", "r0", "D"], "data":[[0, 1, 1.0, 1.0, 0.1], [1, 2, 1.0, 1.1, 0.1], [2, 3, 1.0, 0.9, 0.1]] } GaussianCommon_E_r0_D ~~~~~~~~~~~~~~~~~~~~~ Gaussian bonds variant with common parameters (``E``, ``r0``, and ``D``) for all bonds. ---- * **type**: ``Bond2``, ``GaussianCommon_E_r0_D`` * **parameters**: * ``E`` : ``real``: Common well depth for all bonds :math:`[energy]` * ``r0``: ``real``: Common equilibrium distance for all bonds :math:`[distance]` * ``D`` : ``real``: Common width parameter for all bonds :math:`[distance]^2` * **data**: * ``id_i``: ``int``: Id of one particle * ``id_j``: ``int``: Id of the other particle Example: .. code-block:: "gaussianBondsCommon":{ "type":["Bond2","GaussianCommon_E_r0_D"], "parameters":{"E":1.0, "r0":1.0, "D":0.1}, "labels":["id_i", "id_j"], "data":[[0, 1], [1, 2], [2, 3]] }