Commit c94030d9 authored by Dan Ibanez's avatar Dan Ibanez
Browse files

put pair_lj_coul in kokkos_type.h 

also rename pair_lj_coul_gromacs
so it doesn't conflict with the
one now in kokkos_type.h
parent 9f4e5e06

src/KOKKOS/Install.sh

+0 −1
Original line number Diff line number Diff line
@@ -143,7 +143,6 @@ action pair_eam_alloy_kokkos.h pair_eam_alloy.h 
action pair_eam_fs_kokkos.cpp pair_eam_fs.cpp

action pair_eam_fs_kokkos.h pair_eam_fs.h

action pair_kokkos.h

action params_lj_coul.h

action pair_lj_charmm_coul_charmm_implicit_kokkos.cpp pair_lj_charmm_coul_charmm_implicit.cpp

action pair_lj_charmm_coul_charmm_implicit_kokkos.h pair_lj_charmm_coul_charmm_implicit.h

action pair_lj_charmm_coul_charmm_kokkos.cpp pair_lj_charmm_coul_charmm.cpp

src/KOKKOS/kokkos_type.h

+8 −0
Original line number Diff line number Diff line
@@ -915,6 +915,14 @@ void memset_kokkos (ViewType &view) { 
  ViewType::execution_space::fence();

}



struct params_lj_coul {

  KOKKOS_INLINE_FUNCTION

  params_lj_coul(){cut_ljsq=0;cut_coulsq=0;lj1=0;lj2=0;lj3=0;lj4=0;offset=0;};   

  KOKKOS_INLINE_FUNCTION

  params_lj_coul(int i){cut_ljsq=0;cut_coulsq=0;lj1=0;lj2=0;lj3=0;lj4=0;offset=0;};

  F_FLOAT cut_ljsq,cut_coulsq,lj1,lj2,lj3,lj4,offset;

};



#if defined(KOKKOS_HAVE_CXX11)

#undef ISFINITE

#define ISFINITE(x) std::isfinite(x)

src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h

+0 −1
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@@ -25,7 +25,6 @@ PairStyle(lj/charmm/coul/charmm/implicit/kk/host,PairLJCharmmCoulCharmmImplicitK 
#include "pair_kokkos.h"

#include "pair_lj_charmm_coul_charmm_implicit.h"

#include "neigh_list_kokkos.h"

#include "params_lj_coul.h"



namespace LAMMPS_NS {

src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h

+0 −1
Original line number Diff line number Diff line
@@ -25,7 +25,6 @@ PairStyle(lj/charmm/coul/charmm/kk/host,PairLJCharmmCoulCharmmKokkos<LMPHostType 
#include "pair_kokkos.h"

#include "pair_lj_charmm_coul_charmm.h"

#include "neigh_list_kokkos.h"

#include "params_lj_coul.h"



namespace LAMMPS_NS {

src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h

+0 −1
Original line number Diff line number Diff line
@@ -25,7 +25,6 @@ PairStyle(lj/charmm/coul/long/kk/host,PairLJCharmmCoulLongKokkos<LMPHostType>) 
#include "pair_kokkos.h"

#include "pair_lj_charmm_coul_long.h"

#include "neigh_list_kokkos.h"

#include "params_lj_coul.h"



namespace LAMMPS_NS {

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