Fene ----- FENE (Finitely Extensible Nonlinear Elastic) potential to model interactions. It characterizes a bond that can be stretched to a defined maximum length, beyond which it cannot be extended. .. math:: U = -\frac{1}{2}K R_0^2 \ln \left[ 1 - \left( \frac{r-r_0}{R_0} \right)^2 \right] ---- * **type**: ``Bond2``, ``Fene``. * **parameters**: ``None`` * **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]` * ``R0`` : ``real``: Maximum extension of the bond :math:`[distance]` Example: .. code-block:: "entryName":{ "type":["Bond2","Fene"], "parameters":{}, "labels":["id_i", "id_j", "r0", "K", "R0"], "data":[[0, 1, 1.0, 2.0, 3.0], [3, 5, 1.5, 1.0, 2.0]] } FeneCommon_K_R0 ~~~~~~~~~~~~~~~ FENE bonds variant with common parameters (``K`` and ``R0``) for all bonds. ---- * **type**: ``Bond2``, ``FeneCommon_K_R0``. * **parameters**: * ``K`` : ``real``: Spring constant :math:`[energy]/[distance]^2` * ``R0``: ``real``: Maximum extension of the bond :math:`[distance]` * **data**: * ``id_i``: ``int``: Id of one particle * ``id_j``: ``int``: Id of the other particle * ``r0``: ``real``: Equilibrium distance :math:`[distance]` ---- Example: .. code-block:: "entryName":{ "type":["Bond2","FeneCommon_K_R0"], "parameters":{"K":2.0, "R0:5.0}, "labels":["id_i", "id_j", "r0"], "data":[[0, 1, 3.0], [3, 5, 2.0]] } FeneCommon_r0_K_R0 ~~~~~~~~~~~~~~~~~~ FENE bonds variant with common parameters (``r0``, ``K`` and ``R0``) for all bonds. ---- * **type**: ``Bond2``, ``FeneCommon_K_R0``. * **parameters**: * ``K`` : ``real``: Spring constant :math:`[energy]/[distance]^2` * ``R0``: ``real``: Maximum extension of the bond :math:`[distance]` * ``r0``: ``real``: Equilibrium distance :math:`[distance]` * **data**: * ``id_i``: ``int``: Id of one particle. * ``id_j``: ``int``: Id of the other particle. ---- Example: .. code-block:: "entryName":{ "type":["Bond2","FeneCommon_K_R0"], "parameters":{"K":2.0, "R0:5.0, "r0":1.0}, "labels":["id_i", "id_j"], "data":[[0, 1], [3, 5]] }