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Axel Kohlmeyer
2021-10-08 19:00:30 -04:00
parent c5205be071
commit 241e01edba
2 changed files with 6 additions and 6 deletions

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@ -19,7 +19,7 @@ Syntax
bond_style fene
bond_style fene/nm/split
Examples
""""""""
@ -46,11 +46,11 @@ term is attractive, the second Lennard-Jones term is repulsive. The
first term extends to :math:`R_0`, the maximum extent of the bond. The second
term is cutoff at :math:`2^\frac{1}{6} \sigma`, the minimum of the LJ potential.
The *fene/nm/split* bond style substitutes the standard LJ potential with the generalized LJ potential. The bond energy is then given by
.. math::
The *fene/nm/split* bond style substitutes the standard LJ potential with the generalized LJ potential. The bond energy is then given by
.. math::
E = -0.5 K R_0^2 \ln \left[ 1 - \left(\frac{r}{R_0}\right)^2\right] + \frac{\epsilon}{(n-m)} \left[ m \left(\frac{r_0}{r}\right)^n - n \left(\frac{r_0}{r}\right)^m \right]
The following coefficients must be defined for each bond type via the
:doc:`bond_coeff <bond_coeff>` command as in the example above, or in
the data file or restart files read by the :doc:`read_data <read_data>`
@ -61,7 +61,7 @@ or :doc:`read_restart <read_restart>` commands:
* :math:`\epsilon` (energy)
* :math:`\sigma` (distance)
For the *fene/nm/split* style, the following additional coefficients are needed. Note, the standard LJ potential is recovered for (n=12 m=6).
For the *fene/nm/split* style, the following additional coefficients are needed. Note, the standard LJ potential is recovered for (n=12 m=6).
* :math:`n` (unitless)
* :math:`m` (unitless)

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@ -84,7 +84,7 @@ interaction has the following form:
where :math:`r_c` is the cutoff.
Style *nm/cut/split* applies the standard LJ (6-12) potential above :math:`2^\frac{1}{6} \sigma`.
Style *nm/cut/coul/cut* adds a Coulombic pairwise interaction given by
.. math::