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This commit is contained in:
Axel Kohlmeyer
2022-04-05 21:53:29 -04:00
parent f89a08985e
commit 4ad8af629d
5 changed files with 5 additions and 5 deletions
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2
src/DPD-BASIC/pair_dpd.cpp
View File

@ -47,7 +47,7 @@ PairDPD::PairDPD(LAMMPS *lmp) : Pair(lmp)
PairDPD::~PairDPD()
{
if (copymode) return;
if (allocated) {
memory->destroy(setflag);
memory->destroy(cutsq);

2
src/KOKKOS/pair_dpd_ext_kokkos.cpp
View File

@ -359,7 +359,7 @@ void PairDPDExtKokkos<DeviceType>::operator() (TagDPDExtKokkos<NEIGHFLAG,NEWTON_
ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*evdwl;
}
if (EVFLAG)
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,evdwl,fpair,delx,dely,delz);
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,evdwl,fpair,delx,dely,delz);
}
}
a_f(i,0) += fx;

2
src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp
View File

@ -362,7 +362,7 @@ void PairDPDExtTstatKokkos<DeviceType>::operator() (TagDPDExtTstatKokkos<NEIGHFL
}
if (EVFLAG)
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,0.0,fpair,delx,dely,delz);
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,0.0,fpair,delx,dely,delz);
}
}
a_f(i,0) += fx;

2
src/KOKKOS/pair_dpd_kokkos.cpp
View File

@ -320,7 +320,7 @@ void PairDPDKokkos<DeviceType>::operator() (TagDPDKokkos<NEIGHFLAG,NEWTON_PAIR,E
ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*evdwl;
}
if (EVFLAG)
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,evdwl,fpair,delx,dely,delz);
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,evdwl,fpair,delx,dely,delz);
}
}
a_f(i,0) += fx;

2
src/KOKKOS/pair_dpd_tstat_kokkos.cpp
View File

@ -321,7 +321,7 @@ void PairDPDTstatKokkos<DeviceType>::operator() (TagDPDTstatKokkos<NEIGHFLAG,NEW
}
if (EVFLAG)
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,0.0,fpair,delx,dely,delz);
this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,0.0,fpair,delx,dely,delz);
}
}
a_f(i,0) += fx;