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Searched refs:NEIGHFLAG (Results 1 – 25 of 42) sorted by relevance

12

/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dpair_reaxff_kokkos.h55 template<int NEIGHFLAG, int EVFLAG>
66 template<int NEIGHFLAG>
81 template<int NEIGHFLAG>
159 template<int NEIGHFLAG>
181 template<int NEIGHFLAG>
304 template<int NEIGHFLAG>
309 template<int NEIGHFLAG>
313 template<int NEIGHFLAG>
317 template<int NEIGHFLAG>
321 template<int NEIGHFLAG>
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H A Dpair_vashishta_kokkos.h29 template<int NEIGHFLAG, int EVFLAG>
32 template<int NEIGHFLAG, int EVFLAG>
35 template<int NEIGHFLAG, int EVFLAG>
57 template<int NEIGHFLAG, int EVFLAG>
61 template<int NEIGHFLAG, int EVFLAG>
65 template<int NEIGHFLAG, int EVFLAG>
69 template<int NEIGHFLAG, int EVFLAG>
73 template<int NEIGHFLAG, int EVFLAG>
77 template<int NEIGHFLAG, int EVFLAG>
84 template<int NEIGHFLAG>
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H A Dpair_sw_kokkos.h29 template<int NEIGHFLAG, int EVFLAG>
32 template<int NEIGHFLAG, int EVFLAG>
35 template<int NEIGHFLAG, int EVFLAG>
57 template<int NEIGHFLAG, int EVFLAG>
61 template<int NEIGHFLAG, int EVFLAG>
65 template<int NEIGHFLAG, int EVFLAG>
69 template<int NEIGHFLAG, int EVFLAG>
73 template<int NEIGHFLAG, int EVFLAG>
77 template<int NEIGHFLAG, int EVFLAG>
84 template<int NEIGHFLAG>
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H A Dpair_exp6_rx_kokkos.h73 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
76 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
101 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
103 void operator()(TagPairExp6rxCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
105 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
107 void operator()(TagPairExp6rxCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
109 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
113 …template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool Site1EqSite2, bool UseAtomics, bool OneT…
117 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
119 void operator()(TagPairExp6rxComputeNoAtomics<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
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H A Dpair_dpd_fdt_energy_kokkos.h43 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
46 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
65 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
67 …void operator()(TagPairDPDfdtEnergyComputeSplit<NEIGHFLAG,NEWTON_PAIR,EVFLAG,STACKPARAMS>, const i…
69 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
71 …void operator()(TagPairDPDfdtEnergyComputeSplit<NEIGHFLAG,NEWTON_PAIR,EVFLAG,STACKPARAMS>, const i…
73 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
75 …void operator()(TagPairDPDfdtEnergyComputeNoSplit<NEIGHFLAG,NEWTON_PAIR,EVFLAG,STACKPARAMS>, const…
77 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, bool STACKPARAMS>
79 …void operator()(TagPairDPDfdtEnergyComputeNoSplit<NEIGHFLAG,NEWTON_PAIR,EVFLAG,STACKPARAMS>, const…
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H A Dpair_tersoff_kokkos.h32 template<int NEIGHFLAG, int EVFLAG>
35 template<int NEIGHFLAG, int EVFLAG>
38 template<int NEIGHFLAG, int EVFLAG>
57 template<int NEIGHFLAG, int EVFLAG>
61 template<int NEIGHFLAG, int EVFLAG>
65 template<int NEIGHFLAG, int EVFLAG>
69 template<int NEIGHFLAG, int EVFLAG>
73 template<int NEIGHFLAG, int EVFLAG>
77 template<int NEIGHFLAG, int EVFLAG>
165 template<int NEIGHFLAG>
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H A Dpair_tersoff_mod_kokkos.h32 template<int NEIGHFLAG, int EVFLAG>
35 template<int NEIGHFLAG, int EVFLAG>
38 template<int NEIGHFLAG, int EVFLAG>
57 template<int NEIGHFLAG, int EVFLAG>
61 template<int NEIGHFLAG, int EVFLAG>
65 template<int NEIGHFLAG, int EVFLAG>
69 template<int NEIGHFLAG, int EVFLAG>
73 template<int NEIGHFLAG, int EVFLAG>
77 template<int NEIGHFLAG, int EVFLAG>
165 template<int NEIGHFLAG>
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H A Dpair_tersoff_zbl_kokkos.h32 template<int NEIGHFLAG, int EVFLAG>
35 template<int NEIGHFLAG, int EVFLAG>
38 template<int NEIGHFLAG, int EVFLAG>
57 template<int NEIGHFLAG, int EVFLAG>
61 template<int NEIGHFLAG, int EVFLAG>
65 template<int NEIGHFLAG, int EVFLAG>
69 template<int NEIGHFLAG, int EVFLAG>
73 template<int NEIGHFLAG, int EVFLAG>
77 template<int NEIGHFLAG, int EVFLAG>
164 template<int NEIGHFLAG>
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H A Dpair_coul_dsf_kokkos.cpp227 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
283 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
293 …ev.ecoul += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*ecou… in operator ()()
296 …if (vflag_either || eflag_atom) this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,ecoul,fpair,… in operator ()()
308 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
310 void PairCoulDSFKokkos<DeviceType>::operator()(TagPairCoulDSFKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG>,… in operator ()() argument
312 …this->template operator()<NEIGHFLAG,NEWTON_PAIR,EVFLAG>(TagPairCoulDSFKernelA<NEIGHFLAG,NEWTON_PAI… in operator ()()
318 template<int NEIGHFLAG, int NEWTON_PAIR>
334 if (NEIGHFLAG!=FULL) { in ev_tally()
352 if (NEIGHFLAG!=FULL) { in ev_tally()
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H A Dpair_coul_wolf_kokkos.cpp228 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
285 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
295 …ev.ecoul += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*ecou… in operator ()()
298 …if (vflag_either || eflag_atom) this->template ev_tally<NEIGHFLAG,NEWTON_PAIR>(ev,i,j,ecoul,fpair,… in operator ()()
310 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
312 void PairCoulWolfKokkos<DeviceType>::operator()(TagPairCoulWolfKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG… in operator ()() argument
314 …this->template operator()<NEIGHFLAG,NEWTON_PAIR,EVFLAG>(TagPairCoulWolfKernelA<NEIGHFLAG,NEWTON_PA… in operator ()()
320 template<int NEIGHFLAG, int NEWTON_PAIR>
336 if (NEIGHFLAG!=FULL) { in ev_tally()
354 if (NEIGHFLAG!=FULL) { in ev_tally()
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H A Dpair_multi_lucy_rx_kokkos.h39 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int TABSTYLE>
44 template<int NEIGHFLAG, int NEWTON_PAIR, bool ONE_TYPE>
82 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int TABSTYLE>
84 …void operator()(TagPairMultiLucyRXCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG,TABSTYLE>, const int&, EV_F…
86 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int TABSTYLE>
88 …void operator()(TagPairMultiLucyRXCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG,TABSTYLE>, const int&) cons…
93 template<int NEIGHFLAG, int NEWTON_PAIR, bool ONE_TYPE>
95 …void operator()(TagPairMultiLucyRXComputeLocalDensity<NEIGHFLAG,NEWTON_PAIR,ONE_TYPE>, const int&)…
97 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_dpd_fdt_energy_kokkos.cpp439 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
452 …ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*ev… in operator ()()
469 …this->template operator()<NEIGHFLAG,NEWTON_PAIR,EVFLAG>(TagPairDPDfdtEnergyComputeSplit<NEIGHFLAG,… in operator ()()
556 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
582 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
596 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
607 …ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*ev… in operator ()()
692 template<int NEIGHFLAG, int NEWTON_PAIR>
708 if (NEIGHFLAG!=FULL) { in ev_tally()
726 if (NEIGHFLAG!=FULL) { in ev_tally()
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H A Dpair_coul_dsf_kokkos.h32 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
49 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
51 void operator()(TagPairCoulDSFKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
53 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
55 void operator()(TagPairCoulDSFKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
57 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dfix_shake_kokkos.h33 template<int NEIGHFLAG, int EVFLAG>
78 template<int NEIGHFLAG, int EVFLAG>
80 void operator()(TagFixShakePostForce<NEIGHFLAG,EVFLAG>, const int&, EV_FLOAT&) const;
82 template<int NEIGHFLAG, int EVFLAG>
84 void operator()(TagFixShakePostForce<NEIGHFLAG,EVFLAG>, const int&) const;
138 template<int NEIGHFLAG, int EVFLAG>
142 template<int NEIGHFLAG, int EVFLAG>
146 template<int NEIGHFLAG, int EVFLAG>
150 template<int NEIGHFLAG, int EVFLAG>
172 template<int NEIGHFLAG>
H A Dpair_sw_kokkos.cpp243 template<int NEIGHFLAG, int EVFLAG>
376 this->template operator()<NEIGHFLAG,EVFLAG>(TagPairSWComputeHalf<NEIGHFLAG,EVFLAG>(), ii, ev); in operator ()()
484 this->template operator()<NEIGHFLAG,EVFLAG>(TagPairSWComputeFullA<NEIGHFLAG,EVFLAG>(), ii, ev); in operator ()()
570 this->template operator()<NEIGHFLAG,EVFLAG>(TagPairSWComputeFullB<NEIGHFLAG,EVFLAG>(), ii, ev); in operator ()()
793 template<int NEIGHFLAG>
812 if (NEIGHFLAG != FULL) in ev_tally()
825 if (NEIGHFLAG != FULL) { in ev_tally()
850 if (NEIGHFLAG != FULL) { in ev_tally()
869 template<int NEIGHFLAG>
890 if (NEIGHFLAG != FULL) { in ev_tally3()
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H A Dpair_coul_wolf_kokkos.h32 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
49 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
51 …void operator()(TagPairCoulWolfKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
53 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
55 void operator()(TagPairCoulWolfKernelA<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
57 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_kokkos.h54 template <class PairStyle, int NEIGHFLAG, bool STACKPARAMS, class Specialisation = void>
156 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < c.nlocal)) {
166 …ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<c.nlocal)))?1.0:0.5)*ev…
230 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < c.nlocal)) {
242 …ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<c.nlocal)))?1.0:0.5)*ev…
246 …ev.ecoul += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<c.nlocal)))?1.0:0.5)*ec…
614 if (NEIGHFLAG!=FULL) {
659 if ((NEWTON_PAIR || j < c.nlocal) && NEIGHFLAG != FULL) {
705 template<class PairStyle, unsigned NEIGHFLAG, class Specialisation>
735 template<class PairStyle, unsigned NEIGHFLAG, class Specialisation>
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H A Dpair_vashishta_kokkos.cpp234 template<int NEIGHFLAG, int EVFLAG>
358 template<int NEIGHFLAG, int EVFLAG>
368 template<int NEIGHFLAG, int EVFLAG>
460 template<int NEIGHFLAG, int EVFLAG>
774 template<int NEIGHFLAG>
791 if (NEIGHFLAG != FULL) in ev_tally()
804 if (NEIGHFLAG != FULL) { in ev_tally()
829 if (NEIGHFLAG != FULL) { in ev_tally()
848 template<int NEIGHFLAG>
866 if (NEIGHFLAG != FULL) { in ev_tally3()
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H A Dpair_eam_kokkos.h37 template<int NEIGHFLAG, int NEWTON_PAIR>
46 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
73 template<int NEIGHFLAG, int NEWTON_PAIR>
75 void operator()(TagPairEAMKernelA<NEIGHFLAG,NEWTON_PAIR>, const int&) const;
93 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
95 void operator()(TagPairEAMKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
97 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
99 void operator()(TagPairEAMKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
101 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_eam_alloy_kokkos.h37 template<int NEIGHFLAG, int NEWTON_PAIR>
46 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
76 template<int NEIGHFLAG, int NEWTON_PAIR>
78 void operator()(TagPairEAMAlloyKernelA<NEIGHFLAG,NEWTON_PAIR>, const int&) const;
96 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
98 …void operator()(TagPairEAMAlloyKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
100 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
102 void operator()(TagPairEAMAlloyKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
104 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_eam_fs_kokkos.h37 template<int NEIGHFLAG, int NEWTON_PAIR>
46 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
76 template<int NEIGHFLAG, int NEWTON_PAIR>
78 void operator()(TagPairEAMFSKernelA<NEIGHFLAG,NEWTON_PAIR>, const int&) const;
96 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
98 void operator()(TagPairEAMFSKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&, EV_FLOAT&) const;
100 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
102 void operator()(TagPairEAMFSKernelC<NEIGHFLAG,NEWTON_PAIR,EVFLAG>, const int&) const;
104 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_gran_hooke_history_kokkos.h35 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int SHEARUPDATE>
55 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int SHEARUPDATE>
57 …void operator()(TagPairGranHookeHistoryCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG,SHEARUPDATE>, const in…
58 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG, int SHEARUPDATE>
60 …void operator()(TagPairGranHookeHistoryCompute<NEIGHFLAG,NEWTON_PAIR,EVFLAG,SHEARUPDATE>, const in…
67 template<int NEIGHFLAG, int NEWTON_PAIR>
H A Dpair_reaxff_kokkos.cpp1593 template<int NEIGHFLAG>
1654 if (NEIGHFLAG == HALF) { in operator ()()
1670 if (NEIGHFLAG == HALF) { in operator ()()
1723 if (NEIGHFLAG == HALF) { in operator ()()
3010 template<int NEIGHFLAG>
3381 template<int NEIGHFLAG>
3440 template<int NEIGHFLAG>
3462 template<int NEIGHFLAG>
3477 template<int NEIGHFLAG>
3513 template<int NEIGHFLAG>
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H A Dfix_qeq_reaxff_kokkos.h63 template<int NEIGHFLAG>
67 template<int NEIGHFLAG>
77 template<int NEIGHFLAG>
84 template<int NEIGHFLAG>
91 template<int NEIGHFLAG>
273 template <class DeviceType, int NEIGHFLAG>
346 template <class DeviceType,int NEIGHFLAG>
355 c.template sparse13_item<NEIGHFLAG>(ii); in operator()
372 template <class DeviceType,int NEIGHFLAG>
381 c.template sparse23_item<NEIGHFLAG>(ii); in operator()
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H A Dpair_eam_kokkos.cpp542 template<int NEIGHFLAG, int NEWTON_PAIR>
710 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
717 auto a_f = v_f.template access<typename AtomicDup<NEIGHFLAG,DeviceType>::value>(); in operator ()()
786 if ((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD) && (NEWTON_PAIR || j < nlocal)) { in operator ()()
794 … ev.evdwl += (((NEIGHFLAG==HALF || NEIGHFLAG==HALFTHREAD)&&(NEWTON_PAIR||(j<nlocal)))?1.0:0.5)*phi; in operator ()()
809 template<int NEIGHFLAG, int NEWTON_PAIR, int EVFLAG>
813 …this->template operator()<NEIGHFLAG,NEWTON_PAIR,EVFLAG>(TagPairEAMKernelC<NEIGHFLAG,NEWTON_PAIR,EV… in operator ()()
819 template<int NEIGHFLAG, int NEWTON_PAIR>
839 if (NEIGHFLAG!=FULL) { in ev_tally()
857 if (NEIGHFLAG!=FULL) { in ev_tally()
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