/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | pair_coul_dsf_kokkos.cpp | 233 …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()
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H A D | pair_coul_wolf_kokkos.cpp | 234 …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()
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H A D | angle_cosine_kokkos.cpp | 289 …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()
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H A D | angle_harmonic_kokkos.cpp | 307 …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()
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H A D | dihedral_harmonic_kokkos.cpp | 419 …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()
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H A D | dihedral_opls_kokkos.cpp | 424 …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()
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H A D | bond_fene_kokkos.cpp | 325 …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()
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H A D | pair_vashishta_kokkos.cpp | 784 …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()
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H A D | pair_table_rx_kokkos.cpp | 295 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()
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H A D | angle_class2_kokkos.cpp | 500 …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()
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H A D | pair_dpd_fdt_energy_kokkos.cpp | 702 …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()
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H A D | improper_class2_kokkos.cpp | 1016 …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()
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H A D | pair_sw_kokkos.cpp | 803 …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()
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H A D | pair_multi_lucy_rx_kokkos.cpp | 781 …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()
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H A D | dihedral_class2_kokkos.cpp | 1020 …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()
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H A D | pair_eam_kokkos.cpp | 830 …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()
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H A D | pair_eam_alloy_kokkos.cpp | 835 …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()
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H A D | pair_eam_fs_kokkos.cpp | 836 …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()
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H A D | pair_exp6_rx_kokkos.cpp | 2594 …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()
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H A D | pair_reaxff_kokkos.cpp | 3391 …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()
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H A D | pair_tersoff_kokkos.cpp | 1146 …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()
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H A D | pair_tersoff_mod_kokkos.cpp | 1149 …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()
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H A D | pair_tersoff_zbl_kokkos.cpp | 1243 …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()
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