Commit 736e0639 authored by Tim Mattox's avatar Tim Mattox
Browse files

Merge branch 'master' (21893539 Aug 25) into USER-DPD_kokkos_merge 

Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
parents e52a28f8 21893539

doc/src/Eqs/fix_mvv_dpd.jpg

−2.34 KiB (26.3 KiB)
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doc/src/Eqs/fix_mvv_dpd.tex

+1 −1
Original line number Diff line number Diff line
@@ -15,7 +15,7 @@ $$ 
$$



$$

  v(t+\Delta t) = v(t+\frac{\Delta t}{2}) + \frac{\Delta t}{2}\cdot a(t++\Delta t),

  v(t+\Delta t) = v(t+\frac{\Delta t}{2}) + \frac{\Delta t}{2}\cdot a(t+\Delta t)

$$



\end{document}

src/KOKKOS/angle_charmm_kokkos.cpp

+4 −4
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@@ -271,10 +271,10 @@ void AngleCharmmKokkos<DeviceType>::coeff(int narg, char **arg) 
  Kokkos::DualView<F_FLOAT*,DeviceType> k_k_ub("AngleCharmm::k_ub",n+1);

  Kokkos::DualView<F_FLOAT*,DeviceType> k_r_ub("AngleCharmm::r_ub",n+1);



  d_k = k_k.d_view;

  d_theta0 = k_theta0.d_view;

  d_k_ub = k_k_ub.d_view;

  d_r_ub = k_r_ub.d_view;

  d_k = k_k.template view<DeviceType>();

  d_theta0 = k_theta0.template view<DeviceType>();

  d_k_ub = k_k_ub.template view<DeviceType>();

  d_r_ub = k_r_ub.template view<DeviceType>();



  for (int i = 1; i <= n; i++) {

    k_k.h_view[i] = k[i];

src/KOKKOS/atom_vec_angle_kokkos.h

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Original line number Diff line number Diff line
@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(angle/kk,AtomVecAngleKokkos)

AtomStyle(angle/kk/device,AtomVecAngleKokkos)

AtomStyle(angle/kk/host,AtomVecAngleKokkos)



#else

src/KOKKOS/atom_vec_atomic_kokkos.h

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@@ -14,6 +14,8 @@ 
#ifdef ATOM_CLASS



AtomStyle(atomic/kk,AtomVecAtomicKokkos)

AtomStyle(atomic/kk/device,AtomVecAtomicKokkos)

AtomStyle(atomic/kk/host,AtomVecAtomicKokkos)



#else

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