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use r_c consistently

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Axel Kohlmeyer
2023-12-01 05:43:42 -05:00
parent 42ac8a9e9b
commit 0d3f111627
1 changed files with 5 additions and 4 deletions
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9
doc/src/pair_lj_smooth_linear.rst
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@ -31,13 +31,13 @@ Style *lj/smooth/linear* computes a truncated and force-shifted LJ
interaction (aka Shifted Force Lennard-Jones) that combines the interaction (aka Shifted Force Lennard-Jones) that combines the
standard 12/6 Lennard-Jones function and subtracts a linear term based standard 12/6 Lennard-Jones function and subtracts a linear term based
on the cutoff distance, so that both, the potential and the force, go on the cutoff distance, so that both, the potential and the force, go
continuously to zero at the cutoff Rc :ref:`(Toxvaerd) <Toxvaerd>`: continuously to zero at the cutoff :math:`r_c` :ref:`(Toxvaerd) <Toxvaerd>`:
.. math:: .. math::
\phi\left(r\right) & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \phi\left(r\right) & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
\left(\frac{\sigma}{r}\right)^6 \right] \\ \left(\frac{\sigma}{r}\right)^6 \right] \\
E\left(r\right) & = \phi\left(r\right) - \phi\left(R_c\right) - \left(r - R_c\right) \left.\frac{d\phi}{d r} \right|_{r=R_c} \qquad r < R_c E\left(r\right) & = \phi\left(r\right) - \phi\left(r_c\right) - \left(r - r_c\right) \left.\frac{d\phi}{d r} \right|_{r=r_c} \qquad r < r_c
The following coefficients must be defined for each pair of atoms The following coefficients must be defined for each pair of atoms
types via the :doc:`pair_coeff <pair_coeff>` command as in the examples types via the :doc:`pair_coeff <pair_coeff>` command as in the examples
@ -77,8 +77,9 @@ tail option for adding long-range tail corrections to energy and
pressure, since the energy of the pair interaction is smoothed to 0.0 pressure, since the energy of the pair interaction is smoothed to 0.0
at the cutoff. at the cutoff.
This pair style writes its information to :doc:`binary restart files <restart>`, so pair_style and pair_coeff commands do not need This pair style writes its information to :doc:`binary restart files <restart>`,
to be specified in an input script that reads a restart file. so pair_style and pair_coeff commands do not need to be specified
in an input script that reads a restart file.
This pair style can only be used via the *pair* keyword of the This pair style can only be used via the *pair* keyword of the
:doc:`run_style respa <run_style>` command. It does not support the :doc:`run_style respa <run_style>` command. It does not support the