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make more cases specifying cutoff Rc/r_c consistent

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This commit is contained in:
Axel Kohlmeyer
2023-12-01 05:49:20 -05:00
parent 0d3f111627
commit 1f86706710
4 changed files with 8 additions and 7 deletions
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6
doc/src/pair_beck.rst
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@ -30,11 +30,11 @@ Description
Style *beck* computes interactions based on the potential by
:ref:`(Beck) <Beck>`, originally designed for simulation of Helium. It
includes truncation at a cutoff distance Rc.
includes truncation at a cutoff distance :math:`r_c`.
.. math::
E(r) &= A \exp\left[-\alpha r - \beta r^6\right] - \frac{B}{\left(r^2+a^2\right)^3} \left(1+\frac{2.709+3a^2}{r^2+a^2}\right) \qquad r < R_c \\
E(r) &= A \exp\left[-\alpha r - \beta r^6\right] - \frac{B}{\left(r^2+a^2\right)^3} \left(1+\frac{2.709+3a^2}{r^2+a^2}\right) \qquad r < r_c \\
The following coefficients must be defined for each pair of atoms
types via the :doc:`pair_coeff <pair_coeff>` command as in the examples
@ -50,7 +50,7 @@ commands.
* cutoff (distance units)
The last coefficient is optional. If not specified, the global cutoff
:math:`R_c` is used.
:math:`r_c` is used.
----------

2
doc/src/pair_mie.rst
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@ -35,7 +35,7 @@ The *mie/cut* style computes the Mie potential, given by
E = C \epsilon \left[ \left(\frac{\sigma}{r}\right)^{\gamma_{rep}} - \left(\frac{\sigma}{r}\right)^{\gamma_{att}} \right]
\qquad r < r_c
Rc is the cutoff and C is a function that depends on the repulsive and
:math:`r_c` is the cutoff and C is a function that depends on the repulsive and
attractive exponents, given by:
.. math::

5
doc/src/pair_soft.rst
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@ -44,8 +44,9 @@ It is useful for pushing apart overlapping atoms, since it does not
blow up as r goes to 0. A is a prefactor that can be made to vary in
time from the start to the end of the run (see discussion below),
e.g. to start with a very soft potential and slowly harden the
interactions over time. Rc is the cutoff. See the :doc:`fix nve/limit <fix_nve_limit>` command for another way to push apart
overlapping atoms.
interactions over time. :math:`r_c` is the cutoff.
See the :doc:`fix nve/limit <fix_nve_limit>` command for another way
to push apart overlapping atoms.
The following coefficients must be defined for each pair of atom types
via the :doc:`pair_coeff <pair_coeff>` command as in the examples above,

2
doc/src/pair_spica.rst
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@ -81,7 +81,7 @@ given by
as required for the SPICA (formerly called SDK) and the pSPICA Coarse-grained MD parameterization discussed in
:ref:`(Shinoda) <Shinoda3>`, :ref:`(DeVane) <DeVane>`, :ref:`(Seo) <Seo>`, and :ref:`(Miyazaki) <Miyazaki>`.
Rc is the cutoff.
:math:`r_c` is the cutoff.
Summary information on these force fields can be found at https://www.spica-ff.org
Style *lj/spica/coul/long* computes the adds Coulombic interactions