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Searched refs:v_eatom (Results 1 – 23 of 23) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dpair_coul_dsf_kokkos.cpp233 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in operator ()() local
246 v_eatom[i] += e_self; in operator ()()
328 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
335 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
336 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
338 v_eatom[i] += epairhalf; in ev_tally()
H A Dpair_coul_wolf_kokkos.cpp234 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in operator ()() local
248 v_eatom[i] += e_self; in operator ()()
330 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
337 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
338 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
340 v_eatom[i] += epairhalf; in ev_tally()
H A Dangle_cosine_kokkos.cpp289 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.templat… in ev_tally() local
306 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()
307 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()
308 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
H A Dangle_harmonic_kokkos.cpp307 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.templat… in ev_tally() local
324 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()
325 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()
326 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
H A Ddihedral_harmonic_kokkos.cpp419 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<De… in ev_tally() local
435 if (newton_bond || i1 < nlocal) v_eatom[i1] += edihedralquarter; in ev_tally()
436 if (newton_bond || i2 < nlocal) v_eatom[i2] += edihedralquarter; in ev_tally()
437 if (newton_bond || i3 < nlocal) v_eatom[i3] += edihedralquarter; in ev_tally()
438 if (newton_bond || i4 < nlocal) v_eatom[i4] += edihedralquarter; in ev_tally()
H A Ddihedral_opls_kokkos.cpp424 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<De… in ev_tally() local
440 if (newton_bond || i1 < nlocal) v_eatom[i1] += edihedralquarter; in ev_tally()
441 if (newton_bond || i2 < nlocal) v_eatom[i2] += edihedralquarter; in ev_tally()
442 if (newton_bond || i3 < nlocal) v_eatom[i3] += edihedralquarter; in ev_tally()
443 if (newton_bond || i4 < nlocal) v_eatom[i4] += edihedralquarter; in ev_tally()
H A Dbond_fene_kokkos.cpp325 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<De… in ev_tally() local
339 if (newton_bond || i < nlocal) v_eatom[i] += ebondhalf; in ev_tally()
340 if (newton_bond || j < nlocal) v_eatom[j] += ebondhalf; in ev_tally()
H A Dpair_vashishta_kokkos.cpp784 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
790 v_eatom[i] += epairhalf; in ev_tally()
792 v_eatom[j] += epairhalf; in ev_tally()
860 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally3() local
865 v_eatom[i] += epairthird; in ev_tally3()
867 v_eatom[j] += epairthird; in ev_tally3()
868 v_eatom[k] += epairthird; in ev_tally3()
H A Dpair_table_rx_kokkos.cpp295 Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_eatom) in ev_tally()
301 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
302 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
304 v_eatom[i] += epairhalf; in ev_tally()
429 Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > const& v_eatom) { in compute_item()
516 v_vatom, v_eatom); in compute_item()
574 Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom) { in compute_all_items()
584 vflag, vflag_global, vflag_atom, v_vatom, v_eatom); in compute_all_items()
594 vflag, vflag_global, vflag_atom, v_vatom, v_eatom); in compute_all_items()
H A Dangle_class2_kokkos.cpp500 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.templat… in ev_tally() local
517 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()
518 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()
519 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
H A Dpair_dpd_fdt_energy_kokkos.cpp702 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
709 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
710 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
712 v_eatom[i] += epairhalf; in ev_tally()
H A Dimproper_class2_kokkos.cpp1016 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<De… in ev_tally() local
1032 if (newton_bond || i1 < nlocal) v_eatom[i1] += eimproperquarter; in ev_tally()
1033 if (newton_bond || i2 < nlocal) v_eatom[i2] += eimproperquarter; in ev_tally()
1034 if (newton_bond || i3 < nlocal) v_eatom[i3] += eimproperquarter; in ev_tally()
1035 if (newton_bond || i4 < nlocal) v_eatom[i4] += eimproperquarter; in ev_tally()
H A Dpair_sw_kokkos.cpp803 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
804 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
881 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally3() local
882 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally3()
H A Dpair_multi_lucy_rx_kokkos.cpp781 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
788 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
789 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
791 v_eatom[i] += epairhalf; in ev_tally()
H A Ddihedral_class2_kokkos.cpp1020 …iceType>::value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<De… in ev_tally() local
1036 if (newton_bond || i1 < nlocal) v_eatom[i1] += edihedralquarter; in ev_tally()
1037 if (newton_bond || i2 < nlocal) v_eatom[i2] += edihedralquarter; in ev_tally()
1038 if (newton_bond || i3 < nlocal) v_eatom[i3] += edihedralquarter; in ev_tally()
1039 if (newton_bond || i4 < nlocal) v_eatom[i4] += edihedralquarter; in ev_tally()
H A Dpair_eam_kokkos.cpp830 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
831 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
H A Dpair_eam_alloy_kokkos.cpp835 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
836 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
H A Dpair_eam_fs_kokkos.cpp836 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
837 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
H A Dpair_exp6_rx_kokkos.cpp2594 …ice<DeviceType>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<De… in ev_tally() local
2601 if (NEWTON_PAIR || i < nlocal) v_eatom[i] += epairhalf; in ev_tally()
2602 if (NEWTON_PAIR || j < nlocal) v_eatom[j] += epairhalf; in ev_tally()
2604 v_eatom[i] += epairhalf; in ev_tally()
H A Dpair_reaxff_kokkos.cpp3391 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
3392 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
3450 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in e_tally() local
3451 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in e_tally()
3468 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in e_tally_single() local
3469 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in e_tally_single()
H A Dpair_tersoff_kokkos.cpp1146 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
1147 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
H A Dpair_tersoff_mod_kokkos.cpp1149 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
1150 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()
H A Dpair_tersoff_zbl_kokkos.cpp1243 …auto v_eatom = ScatterViewHelper<typename NeedDup<NEIGHFLAG,DeviceType>::value,decltype(dup_eatom)… in ev_tally() local
1244 auto a_eatom = v_eatom.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in ev_tally()