Merge branch 'master' into collected-small-changes

This commit is contained in:
Axel Kohlmeyer
2020-08-05 22:10:10 -04:00
154 changed files with 5123 additions and 2342 deletions

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@ -151,7 +151,7 @@ commands:
* cutoff2 (distance units)
The second coefficient, :math:`\rho`, must be greater than zero.
The coefficients A,:math:`\rho`, and C can be written as analytical expressions
The coefficients A, :math:`\rho`, and C can be written as analytical expressions
of :math:`\epsilon` and :math:`\sigma`, in analogy to the Lennard-Jones potential
:ref:`(Khrapak) <Khrapak>`.

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@ -77,7 +77,7 @@ The colloid-solvent interaction energy is given by
\left[ 1 - \frac{\left(5 ~ a^6+45~a^4~r^2+63~a^2~r^4+15~r^6\right) \sigma^6}
{15 \left(a-r\right)^6 \left( a+r \right)^6} \right], \quad r < r_c
where :math:A_{cs}` is the Hamaker constant, *a* is the radius of the colloidal
where :math:`A_{cs}` is the Hamaker constant, *a* is the radius of the colloidal
particle, and :math:`r_c` is the cutoff. This formula is derived from the
colloid-colloid interaction, letting one of the particle sizes go to
zero.

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@ -54,7 +54,7 @@ between two point particles, where (:math:`\sigma, -\epsilon`) is the
location of the (rightmost) minimum of the potential, as explained in
the syntax section above.
This potential was first used in (Cooke)_#CKD for a coarse-grained lipid
This potential was first used in :ref:`(Cooke) <CKD>` for a coarse-grained lipid
membrane model. It is generally very useful as a non-specific
interaction potential because it is fully adjustable in depth and width
while joining the minimum at (sigma, -epsilon) and zero at (cutoff, 0)
@ -63,7 +63,7 @@ energy calculations etc. This evidently requires *cutoff* to be larger
than *sigma*\ .
If the *wca* option is used then a Weeks-Chandler-Andersen potential
(Weeks)_#WCA is added to the above specified cosine-squared potential,
:ref:`(Weeks) <WCA>` is added to the above specified cosine-squared potential,
specifically the following:
.. math::

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@ -40,7 +40,7 @@ Examples
pair_coeff * * 1.0 1.0
pair_coeff 1 1 1.1 2.8 3.0 3.2
pair_style buck 2.5 3.0
pair_style buck/mdf 2.5 3.0
pair_coeff * * 100.0 1.5 200.0
pair_coeff * * 100.0 1.5 200.0 3.0 3.5