/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | pair_yukawa_kokkos.cpp | 60 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairYukawaKokkos() 169 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 170 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 171 d_eatom = k_eatom.view<DeviceType>(); in compute() 216 k_eatom.template modify<DeviceType>(); in compute() 217 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_cut_kokkos.cpp | 56 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCutKokkos() 78 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 79 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 80 d_eatom = k_eatom.view<DeviceType>(); in compute() 124 k_eatom.template modify<DeviceType>(); in compute() 125 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_morse_kokkos.cpp | 63 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairMorseKokkos() 85 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 86 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 87 d_eatom = k_eatom.view<DeviceType>(); in compute() 131 k_eatom.template modify<DeviceType>(); in compute() 132 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_coul_debye_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairCoulDebyeKokkos() 82 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 83 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 84 d_eatom = k_eatom.view<DeviceType>(); in compute() 136 k_eatom.template modify<DeviceType>(); in compute() 137 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_buck_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairBuckKokkos() 82 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 83 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 84 d_eatom = k_eatom.view<DeviceType>(); in compute() 129 k_eatom.template modify<DeviceType>(); in compute() 130 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_coul_cut_kokkos.cpp | 52 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairCoulCutKokkos() 74 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 75 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 76 d_eatom = k_eatom.view<DeviceType>(); in compute() 126 k_eatom.template modify<DeviceType>(); in compute() 127 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_class2_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJClass2Kokkos() 83 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 84 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 85 d_eatom = k_eatom.view<DeviceType>(); in compute() 127 k_eatom.template modify<DeviceType>(); in compute() 128 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_expand_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJExpandKokkos() 82 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 83 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 84 d_eatom = k_eatom.view<DeviceType>(); in compute() 128 k_eatom.template modify<DeviceType>(); in compute() 129 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | bond_harmonic_kokkos.cpp | 50 memoryKK->destroy_kokkos(k_eatom,eatom); in ~BondHarmonicKokkos() 69 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 70 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom"); in compute() 71 d_eatom = k_eatom.template view<KKDeviceType>(); in compute() 124 k_eatom.template modify<DeviceType>(); in compute() 125 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_sdk_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJSDKKokkos() 83 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 84 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 85 d_eatom = k_eatom.view<DeviceType>(); in compute() 127 k_eatom.template modify<DeviceType>(); in compute() 128 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_coul_dsf_kokkos.cpp | 63 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairCoulDSFKokkos() 83 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 84 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 85 d_eatom = k_eatom.view<DeviceType>(); in compute() 178 k_eatom.template modify<DeviceType>(); in compute() 179 k_eatom.template sync<LMPHostType>(); in compute() 233 …Type>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<DeviceType>(… in operator ()() 328 …Type>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<DeviceType>(… in ev_tally()
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H A D | pair_coul_wolf_kokkos.cpp | 58 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairCoulWolfKokkos() 78 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 79 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 80 d_eatom = k_eatom.view<DeviceType>(); in compute() 179 k_eatom.template modify<DeviceType>(); in compute() 180 k_eatom.template sync<LMPHostType>(); in compute() 234 …Type>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<DeviceType>(… in operator ()() 330 …Type>::value,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > v_eatom = k_eatom.view<DeviceType>(… in ev_tally()
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H A D | angle_cosine_kokkos.cpp | 56 memoryKK->destroy_kokkos(k_eatom,eatom); in ~AngleCosineKokkos() 74 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 75 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"angle:eatom"); in compute() 76 d_eatom = k_eatom.template view<DeviceType>(); in compute() 128 k_eatom.template modify<DeviceType>(); in compute() 129 k_eatom.template sync<LMPHostType>(); in compute() 289 …value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.template view<Dev… in ev_tally()
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H A D | bond_fene_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~BondFENEKokkos() 79 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 80 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"bond:eatom"); in compute() 81 d_eatom = k_eatom.view<DeviceType>(); in compute() 151 k_eatom.template modify<DeviceType>(); in compute() 152 k_eatom.template sync<LMPHostType>(); in compute() 325 …value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.view<DeviceType>(… in ev_tally()
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H A D | pair_lj_cut_coul_cut_kokkos.cpp | 57 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCutCoulCutKokkos() 80 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 81 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 82 d_eatom = k_eatom.view<DeviceType>(); in compute() 135 k_eatom.template modify<DeviceType>(); in compute() 136 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | angle_harmonic_kokkos.cpp | 56 memoryKK->destroy_kokkos(k_eatom,eatom); in ~AngleHarmonicKokkos() 74 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 75 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"angle:eatom"); in compute() 76 d_eatom = k_eatom.template view<DeviceType>(); in compute() 129 k_eatom.template modify<DeviceType>(); in compute() 130 k_eatom.template sync<LMPHostType>(); in compute() 307 …value,Kokkos::MemoryTraits<Kokkos::Atomic|Kokkos::Unmanaged> > v_eatom = k_eatom.template view<Dev… in ev_tally()
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H A D | pair_buck_coul_cut_kokkos.cpp | 63 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairBuckCoulCutKokkos() 86 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 87 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 88 d_eatom = k_eatom.view<DeviceType>(); in compute() 145 k_eatom.template modify<DeviceType>(); in compute() 146 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_class2_coul_cut_kokkos.cpp | 58 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJClass2CoulCutKokkos() 81 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 82 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 83 d_eatom = k_eatom.view<DeviceType>(); in compute() 138 k_eatom.template modify<DeviceType>(); in compute() 139 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_cut_coul_dsf_kokkos.cpp | 71 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCutCoulDSFKokkos() 93 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 94 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 95 d_eatom = k_eatom.view<DeviceType>(); in compute() 159 k_eatom.template modify<DeviceType>(); in compute() 160 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_gromacs_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJGromacsKokkos() 82 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 83 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 84 d_eatom = k_eatom.view<DeviceType>(); in compute() 135 k_eatom.template modify<DeviceType>(); in compute() 136 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | bond_class2_kokkos.cpp | 50 memoryKK->destroy_kokkos(k_eatom,eatom); in ~BondClass2Kokkos() 69 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 70 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"improper:eatom"); in compute() 71 d_eatom = k_eatom.template view<DeviceType>(); in compute() 124 k_eatom.template modify<DeviceType>(); in compute() 125 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_cut_coul_debye_kokkos.cpp | 61 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCutCoulDebyeKokkos() 84 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 85 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 86 d_eatom = k_eatom.view<DeviceType>(); in compute() 141 k_eatom.template modify<DeviceType>(); in compute() 142 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_coul_long_kokkos.cpp | 70 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairCoulLongKokkos() 91 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 92 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 93 d_eatom = k_eatom.view<DeviceType>(); in compute() 152 k_eatom.template modify<DeviceType>(); in compute() 153 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_charmm_coul_charmm_implicit_kokkos.cpp | 69 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCharmmCoulCharmmImplicitKokkos() 90 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 91 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 92 d_eatom = k_eatom.view<DeviceType>(); in compute() 151 k_eatom.template modify<DeviceType>(); in compute() 152 k_eatom.template sync<LMPHostType>(); in compute()
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H A D | pair_lj_charmm_coul_charmm_kokkos.cpp | 70 memoryKK->destroy_kokkos(k_eatom,eatom); in ~PairLJCharmmCoulCharmmKokkos() 91 memoryKK->destroy_kokkos(k_eatom,eatom); in compute() 92 memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); in compute() 93 d_eatom = k_eatom.view<DeviceType>(); in compute() 152 k_eatom.template modify<DeviceType>(); in compute() 153 k_eatom.template sync<LMPHostType>(); in compute()
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