HarmonicAngular --------------- The HarmonicAngular potential is a simple model for angular bonds that applies a harmonic restraint on the angle between three particles. .. math:: U = \frac{1}{2}K(\theta - \theta_0)^2 where: * :math:`K` is the angular spring constant * :math:`\theta` is the current angle between the three particles * :math:`\theta_0` is the equilibrium angle ---- * **type**: ``Bond3``, ``HarmonicAngular`` * **parameters**: ``None`` * **data**: * ``id_i``: ``int``: Id of the first particle * ``id_j``: ``int``: Id of the central particle * ``id_k``: ``int``: Id of the third particle * ``K``: ``real``: Angular spring constant :math:`[energy]/[angle]^2` * ``theta0``: ``real``: Equilibrium angle :math:`[angle]` Example: .. code-block:: "harmonicAngularBonds":{ "type":["Bond3","HarmonicAngular"], "parameters":{}, "labels":["id_i", "id_j", "id_k", "K", "theta0"], "data":[[0, 1, 2, 100.0, 1.57], [1, 2, 3, 100.0, 1.57], [2, 3, 4, 100.0, 1.57]] } HarmonicAngularCommon_K ~~~~~~~~~~~~~~~~~~~~~~~ HarmonicAngular bonds variant with a common angular spring constant (``K``) for all bonds. ---- * **type**: ``Bond3``, ``HarmonicAngularCommon_K`` * **parameters**: * ``K``: ``real``: Common angular spring constant for all bonds :math:`[energy]/[angle]^2` * **data**: * ``id_i``: ``int``: Id of the first particle * ``id_j``: ``int``: Id of the central particle * ``id_k``: ``int``: Id of the third particle * ``theta0``: ``real``: Equilibrium angle :math:`[angle]` Example: .. code-block:: "harmonicAngularBondsCommonK":{ "type":["Bond3","HarmonicAngularCommon_K"], "parameters":{"K":100.0}, "labels":["id_i", "id_j", "id_k", "theta0"], "data":[[0, 1, 2, 1.57], [1, 2, 3, 1.57], [2, 3, 4, 1.57]] } HarmonicAngularCommon_K_theta0 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ HarmonicAngular bonds variant with common parameters (``K`` and ``theta0``) for all bonds. ---- * **type**: ``Bond3``, ``HarmonicAngularCommon_K_theta0`` * **parameters**: * ``K``: ``real``: Common angular spring constant for all bonds :math:`[energy]/[angle]^2` * ``theta0``: ``real``: Common equilibrium angle for all bonds :math:`[angle]` * **data**: * ``id_i``: ``int``: Id of the first particle * ``id_j``: ``int``: Id of the central particle * ``id_k``: ``int``: Id of the third particle Example: .. code-block:: "harmonicAngularBondsCommonKTheta0":{ "type":["Bond3","HarmonicAngularCommon_K_theta0"], "parameters":{"K":100.0, "theta0":1.57}, "labels":["id_i", "id_j", "id_k"], "data":[[0, 1, 2], [1, 2, 3], [2, 3, 4]] }