Unverified Commit 15db052c authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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Merge branch 'master' into collected-small-changes

parents 45824360 c3075250
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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

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@@ -446,7 +446,7 @@ void AngleCharmmKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in

namespace LAMMPS_NS {
template class AngleCharmmKokkos<LMPDeviceType>;
#ifdef KOKKOS_ENABLE_CUDA
#ifdef LMP_KOKKOS_GPU
template class AngleCharmmKokkos<LMPHostType>;
#endif
}
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@@ -597,7 +597,7 @@ void AngleClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in

namespace LAMMPS_NS {
template class AngleClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_ENABLE_CUDA
#ifdef LMP_KOKKOS_GPU
template class AngleClass2Kokkos<LMPHostType>;
#endif
}
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