Unverified Commit 2735fc09 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Merge branch 'master' into progguide

parents 9dc9cdf5 c3075250

doc/src/pair_cosine_squared.rst

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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::

doc/src/pair_mdf.rst

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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

src/KOKKOS/angle_charmm_kokkos.cpp

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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

}

src/KOKKOS/angle_class2_kokkos.cpp

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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

}

src/KOKKOS/angle_cosine_kokkos.cpp

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@@ -386,7 +386,7 @@ void AngleCosineKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in 


namespace LAMMPS_NS {

template class AngleCosineKokkos<LMPDeviceType>;

#ifdef KOKKOS_ENABLE_CUDA

#ifdef LMP_KOKKOS_GPU

template class AngleCosineKokkos<LMPHostType>;

#endif

}

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